acompound

Showing entry for Thiourea

General Compound Information
BXGC Id	BXGC0020884
Compound Name	Thiourea
Structure
Formula	CH4N2S
InchiKey	UMGDCJDMYOKAJW-UHFFFAOYSA-N
SMILES	NC(=N)S
Inchi	InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
IUPAC	thiourea
Molecular Weight	76.01
Pubchem Id	2723790
Chembl Id	CHEMBL260876

Targets of Information Source

DrugBank

n.a

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

PDB

TOU

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
P00698	BXGT005617	Lysozyme C	reviewed	LYZ	-	-	-	-	-
P00648	BXGT005607	Ribonuclease	reviewed		-	-	-	-	-
P02877	BXGT005981	Pro-hevein	reviewed	HEV1	-	-	-	-	-
P06873	BXGT006519	Proteinase K	reviewed	PROK	-	-	-	-	-

Binding DB

50229993

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
reviewed	BXGT006615	Urease	reviewed		-	-	21100	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	21000	-	-
reviewed	BXGT010218	Urease subunit alpha	reviewed		ureC	-	21250	-	-
reviewed	BXGT006615	Urease	reviewed		-	20010	21000	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	20900	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	19460	-	-
reviewed	BXGT010218	Urease subunit alpha	reviewed		ureC	-	21000	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	21010	-	-
reviewed	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	-	200	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	21500	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	21250	-	-
reviewed	BXGT006615	Urease	reviewed		-	-	22300	-	-
reviewed	BXGT006615	Urease	reviewed		-	19600	-	-	-
reviewed	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	-	200	-	-
reviewed	BXGT006615	Urease	reviewed		-	20010	-	-	-

CHEMBL

CHEMBL260876

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
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	51	ug.mL-1
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	21000	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	8	%
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	97	%
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	IC50	'='	200	nM
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	22300	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	100	%
P16473	BXGT008234	Thyrotropin receptor	reviewed	G-protein coupled receptor	TSHR	Potency	'='	398	nM
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Potency	'='	2238	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	15	%
P51449	BXGT010846	Nuclear receptor ROR-gamma	reviewed	Nuclear receptor	RORC	Potency	-	74978	nM
Q0PXQ5	BXGT026092	Urease subunit beta	unreviewed	-	ureB	Inhibition	'='	98	%
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	21	%
Q13535	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	IC50	'='	200	nM
P07374	BXGT006615	Urease	reviewed	-		Ki	'='	19600	nM
P07374	BXGT006615	Urease	reviewed	-		IC10	'='	21	uM
P00328	BXGT005501	Alcohol dehydrogenase S chain	reviewed	-		Ki	'='	42000000	nM
P00327	BXGT005500	Alcohol dehydrogenase E chain	reviewed	-		Ki	'='	42000000	nM
P07374	BXGT006615	Urease	reviewed	-		Ki	'='	23000	nM
P27695	BXGT009199	DNA-(apurinic or apyrimidinic site) lyase	reviewed	-	APEX1	Potency	-	47443	nM
P07374	BXGT006615	Urease	reviewed	-		Ki	'='	20010	nM
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	21250	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	99	%
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	94	%
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	19460	nM
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	21500	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	44668	nM
Q0PXQ5	BXGT026092	Urease subunit beta	unreviewed	-	ureB	IC50	'='	21110	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	92	%
P07374	BXGT006615	Urease	reviewed	-		IC50	'='	560	nM
P07374	BXGT006615	Urease	reviewed	-		Inhibition	'='	88	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00994	Piper dilatatum	Piper dilatatum	Medicinal Plant
BXGF05582	Amaranthus spinosus	Amaranthus spinosus	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}