acompound

Showing entry for Debromohymenialdisine

General Compound Information
BXGC Id	BXGC0020911
Compound Name	Debromohymenialdisine
Structure
Formula	C11H11N5O2
InchiKey	JYRJOQGKGMHTOO-VURMDHGXSA-N
SMILES	N=C1N=C(/C(=C/2\CCN=C(c3c2cc[nH]3)O)/N1)O
Inchi	InChI=1S/C11H11N5O2/c12-11-15-8(10(18)16-11)6-2-4-14-9(17)7-5(6)1-3-13-7/h1,3,13H,2,4H2,(H,14,17)(H3,12,15,16,18)/b8-6-
IUPAC	(4Z)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one
Molecular Weight	245.09
Pubchem Id	135451156
Chembl Id	CHEMBL255465

Targets of Information Source

DrugBank

DB04367

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Q07912	BXGT012947	Activated CDC42 kinase 1	reviewed	Kinase	TNK2	experimental	-
P49759	BXGT010734	Dual specificity protein kinase CLK1	reviewed	Kinase	CLK1	experimental	-

PDB

DBQ

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Q07912	BXGT012947	Activated CDC42 kinase 1	reviewed	TNK2	Kinase	-	-	-	-
P49759	BXGT010734	Dual specificity protein kinase CLK1	reviewed	CLK1	Kinase	-	-	-	-
O14757	BXGT004092	Serine/threonine-protein kinase Chk1	reviewed	CHEK1	Kinase	659	-	-	-
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	CHEK2	Kinase	-	-	-	-

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

CHEMBL255465

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P17252	BXGT008294	Protein kinase C alpha type	reviewed	Kinase	PRKCA	IC50	-	-	-
O14757	BXGT004092	Serine/threonine-protein kinase Chk1	reviewed	Kinase	CHEK1	IC50	'='	725	nM
Q93009	BXGT019455	Ubiquitin carboxyl-terminal hydrolase 7	reviewed	Enzyme	USP7	Inhibition	'='	20	%
P49761	BXGT010736	Dual specificity protein kinase CLK3	reviewed	Kinase	CLK3	Thermal melting change	'='	4	degrees C
Q9UQM7	BXGT021814	Calcium/calmodulin-dependent protein kinase type II subunit alpha	reviewed	Kinase	CAMK2A	Thermal melting change	'='	0	degrees C
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	Kinase	CHEK2	IC50	'='	183	nM
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	IC50	'='	881	nM
P04049	BXGT006133	RAF proto-oncogene serine/threonine-protein kinase	reviewed	Kinase	RAF1	IC50	'='	881	nM
Q02750	BXGT012662	Dual specificity mitogen-activated protein kinase kinase 1	reviewed	Kinase	MAP2K1	IC50	'='	2500	nM
P23458	BXGT008868	Tyrosine-protein kinase JAK1	reviewed	Kinase	JAK1	Thermal melting change	'='	0	degrees C
Q9UEE5	BXGT021671	Serine/threonine-protein kinase 17A	reviewed	Kinase	STK17A	Thermal melting change	'='	10	degrees C
O15530	BXGT004177	3-phosphoinositide-dependent protein kinase 1	reviewed	Kinase	PDPK1	Thermal melting change	'='	0	degrees C
O14757	BXGT004092	Serine/threonine-protein kinase Chk1	reviewed	Kinase	CHEK1	IC50	'='	330	nM
P05771	BXGT006384	Protein kinase C beta type	reviewed	Kinase	PRKCB	IC50	-	-	-
P68400	BXGT011599	Casein kinase II subunit alpha	reviewed	Kinase	CSNK2A1	IC50	-	-	-
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	IC50	'='	824	nM
P51955	BXGT010908	Serine/threonine-protein kinase Nek2	reviewed	Kinase	NEK2	Thermal melting change	'='	1	degrees C
O95747	BXGT005393	Serine/threonine-protein kinase OSR1	reviewed	Kinase	OXSR1	Thermal melting change	'='	0	degrees C
P49759	BXGT010734	Dual specificity protein kinase CLK1	reviewed	Kinase	CLK1	Thermal melting change	'='	6	degrees C
Q9NQU5	BXGT021169	Serine/threonine-protein kinase PAK 6	reviewed	-	PAK6	Thermal melting change	'='	0	degrees C
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Thermal melting change	'='	2	degrees C
O94804	BXGT005334	Serine/threonine-protein kinase 10	reviewed	Kinase	STK10	Thermal melting change	'='	1	degrees C
P48730	BXGT010656	Casein kinase I isoform delta	reviewed	Kinase	CSNK1D	IC50	-	-	-
Q00532	BXGT012532	Cyclin-dependent kinase-like 1	reviewed	Kinase	CDKL1	Thermal melting change	'='	0	degrees C
O14757	BXGT004092	Serine/threonine-protein kinase Chk1	reviewed	Kinase	CHEK1	IC50	'='	3000	nM
Q13043	BXGT013307	Serine/threonine-protein kinase 4	reviewed	Kinase	STK4	Thermal melting change	'='	2	degrees C
P24941	BXGT009002	Cyclin-dependent kinase 2	reviewed	Kinase	CDK2	Thermal melting change	'='	0	degrees C
Q09013	BXGT013023	Myotonin-protein kinase	reviewed	Kinase	DMPK	Thermal melting change	'='	2	degrees C
Q16659	BXGT013652	Mitogen-activated protein kinase 6	reviewed	Kinase	MAPK6	Thermal melting change	'='	0	degrees C
O75716	BXGT005147	Serine/threonine-protein kinase 16	reviewed	Kinase	STK16	Thermal melting change	'='	0	degrees C
P49841	BXGT010750	Glycogen synthase kinase-3 beta	reviewed	Kinase	GSK3B	Thermal melting change	'='	5	degrees C
P11309	BXGT007685	Serine/threonine-protein kinase pim-1	reviewed	Kinase	PIM1	Thermal melting change	'='	0	degrees C
Q15208	BXGT013550	Serine/threonine-protein kinase 38	reviewed	Kinase	STK38	Thermal melting change	'='	0	degrees C
Q13555	BXGT013375	Calcium/calmodulin-dependent protein kinase type II subunit gamma	reviewed	Kinase	CAMK2G	Thermal melting change	'='	0	degrees C
Q96RR4	BXGT019734	Calcium/calmodulin-dependent protein kinase kinase 2	reviewed	Kinase	CAMKK2	Thermal melting change	'='	1	degrees C
Q13554	BXGT013374	Calcium/calmodulin-dependent protein kinase type II subunit beta	reviewed	Kinase	CAMK2B	Thermal melting change	'='	0	degrees C
Q9Y6M4	BXGT022335	Casein kinase I isoform gamma-3	reviewed	Kinase	CSNK1G3	Thermal melting change	'='	2	degrees C
Q00534	BXGT012533	Cyclin-dependent kinase 6	reviewed	Kinase	CDK6	Thermal melting change	'='	0	degrees C
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	Kinase	CHEK2	IC50	'='	3500	nM
Q96NX5	BXGT019702	Calcium/calmodulin-dependent protein kinase type 1G	reviewed	Kinase	CAMK1G	Thermal melting change	'='	0	degrees C
P52564	BXGT010932	Dual specificity mitogen-activated protein kinase kinase 6	reviewed	Kinase	MAP2K6	Thermal melting change	'='	0	degrees C
P17612	BXGT008322	cAMP-dependent protein kinase catalytic subunit alpha	reviewed	Kinase	PRKACA	Thermal melting change	'='	0	degrees C
Q9UKE5	BXGT021741	TRAF2 and NCK-interacting protein kinase	reviewed	Kinase	TNIK	Thermal melting change	'='	1	degrees C
Q16566	BXGT013639	Calcium/calmodulin-dependent protein kinase type IV	reviewed	Kinase	CAMK4	Thermal melting change	'='	0	degrees C
P49760	BXGT010735	Dual specificity protein kinase CLK2	reviewed	Kinase	CLK2	Thermal melting change	'='	3	degrees C
Q9P1W9	BXGT021296	Serine/threonine-protein kinase pim-2	reviewed	Kinase	PIM2	Thermal melting change	'='	2	degrees C
P54646	BXGT011062	5'-AMP-activated protein kinase catalytic subunit alpha-2	reviewed	Kinase	PRKAA2	Thermal melting change	'='	0	degrees C
Q8IU85	BXGT018333	Calcium/calmodulin-dependent protein kinase type 1D	reviewed	Kinase	CAMK1D	Thermal melting change	'='	0	degrees C
O96017	BXGT005415	Serine/threonine-protein kinase Chk2	reviewed	Kinase	CHEK2	Thermal melting change	'='	1	degrees C
O43293	BXGT004584	Death-associated protein kinase 3	reviewed	Kinase	DAPK3	Thermal melting change	'='	5	degrees C
Q9P286	BXGT021299	Serine/threonine-protein kinase PAK 5	reviewed	Kinase	PAK5	Thermal melting change	'='	0	degrees C
Q00536	BXGT012535	Cyclin-dependent kinase 16	reviewed	Kinase	CDK16	Thermal melting change	'='	0	degrees C
O00444	BXGT003921	Serine/threonine-protein kinase PLK4	reviewed	Kinase	PLK4	Thermal melting change	'='	0	degrees C
P51812	BXGT010893	Ribosomal protein S6 kinase alpha-3	reviewed	Kinase	RPS6KA3	Thermal melting change	'='	2	degrees C
P51812	BXGT010893	Ribosomal protein S6 kinase alpha-3	reviewed	Kinase	RPS6KA3	Thermal melting change	'='	6	degrees C
Q9H2G2	BXGT020452	STE20-like serine/threonine-protein kinase	reviewed	Kinase	SLK	Thermal melting change	'='	0	degrees C
Q9P289	BXGT021300	Serine/threonine-protein kinase 26	reviewed	Kinase	STK26	Thermal melting change	'='	0	degrees C
Q96KB5	BXGT019685	Lymphokine-activated killer T-cell-originated protein kinase	reviewed	Kinase	PBK	Thermal melting change	'='	0	degrees C
Q86Y07	BXGT017631	Serine/threonine-protein kinase VRK2	reviewed	Kinase	VRK2	Thermal melting change	'='	0	degrees C
Q8IV63	BXGT018341	Inactive serine/threonine-protein kinase VRK3	reviewed	Kinase	VRK3	Thermal melting change	'='	0	degrees C
Q86V86	BXGT017617	Serine/threonine-protein kinase pim-3	reviewed	-	PIM3	Thermal melting change	'='	2	degrees C
O00506	BXGT003932	Serine/threonine-protein kinase 25	reviewed	Kinase	STK25	Thermal melting change	'='	1	degrees C
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Thermal melting change	'='	0	degrees C
Q9BVS4	BXGT020147	Serine/threonine-protein kinase RIO2	reviewed	Kinase	RIOK2	Thermal melting change	'='	0	degrees C
P36507	BXGT009923	Dual specificity mitogen-activated protein kinase kinase 2	reviewed	Kinase	MAP2K2	Thermal melting change	'='	0	degrees C
Q15759	BXGT013595	Mitogen-activated protein kinase 11	reviewed	Kinase	MAPK11	Thermal melting change	'='	0	degrees C
P78368	BXGT011840	Casein kinase I isoform gamma-2	reviewed	Kinase	CSNK1G2	Thermal melting change	'='	3	degrees C
O96013	BXGT005414	Serine/threonine-protein kinase PAK 4	reviewed	Kinase	PAK4	Thermal melting change	'='	0	degrees C
Q9HC98	BXGT020528	Serine/threonine-protein kinase Nek6	reviewed	Kinase	NEK6	Thermal melting change	'='	0	degrees C
Q99986	BXGT019980	Serine/threonine-protein kinase VRK1	reviewed	Kinase	VRK1	Thermal melting change	'='	1	degrees C
Q99683	BXGT019947	Mitogen-activated protein kinase kinase kinase 5	reviewed	Kinase	MAP3K5	Thermal melting change	'='	4	degrees C
Q9P289	BXGT021300	Serine/threonine-protein kinase 26	reviewed	Kinase	STK26	Thermal melting change	'='	1	degrees C
Q13557	BXGT013376	Calcium/calmodulin-dependent protein kinase type II subunit delta	reviewed	Kinase	CAMK2D	Thermal melting change	'='	0	degrees C
Q9HCP0	BXGT020536	Casein kinase I isoform gamma-1	reviewed	Kinase	CSNK1G1	Thermal melting change	'='	3	degrees C

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05755	Vernonia arctioides	Vernonia arctioides	Others
BXGF06051	Echinocystis fabacea	Echinocystis fabacea	Medicinal Plant

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}