acompound

Showing entry for Vinblastine

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0031618
Compound Name	Vinblastine
Structure
Formula	C46H58N4O9
InchiKey	JXLYSJRDGCGARV-XQKSVPLYSA-N
SMILES	COc1cc2N(C)[C@@H]3[C@@]4(c2cc1[C@]1(C[C@@H]2CN(CCc5c1[nH]c1c5cccc1)C[C@](C2)(O)CC)C(=O)OC)CCN1[C@H]4[C@@]([C@H]([C@]3(O)C(=O)OC)OC(=O)C)(CC)C=CC1
Inchi	InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,
IUPAC
Molecular Weight	810.42
Pubchem Id	241903
Chembl Id	CHEMBL22969

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

n.a

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

Binding DB

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	BXGT008651	ATP-dependent translocase ABCB1	reviewed		Abcb1a	-	17500	-	-
reviewed	BXGT008651	ATP-dependent translocase ABCB1	reviewed		Abcb1a	-	8800	-	-

CHEMBL

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
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'>'	135000	nM
P49721	BXGT010730	Proteasome subunit beta type-2	reviewed	-	PSMB2	IC50	'='	4900	nM
O15439	BXGT004169	Multidrug resistance-associated protein 4	reviewed	Transporter	ABCC4	IC50	'='	35100	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Activity	'='	87	%
O95342	BXGT005373	Bile salt export pump	reviewed	Transporter	ABCB11	IC50	'='	133000	nM
Q92887	BXGT019389	Canalicular multispecific organic anion transporter 1	reviewed	Transporter	ABCC2	IC50	'='	133000	nM
P28074	BXGT009232	Proteasome subunit beta type-5	reviewed	-	PSMB5	IC50	'>'	40000	nM
P20618	BXGT008589	Proteasome subunit beta type-1	reviewed	-	PSMB1	IC50	'>'	40000	nM
P49721	BXGT010730	Proteasome subunit beta type-2	reviewed	-	PSMB2	IC50	'='	14500	nM
O15438	BXGT004168	Canalicular multispecific organic anion transporter 2	reviewed	Transporter	ABCC3	IC50	'='	133000	nM
P20618	BXGT008589	Proteasome subunit beta type-1	reviewed	-	PSMB1	IC50	'='	4280	nM
P28074	BXGT009232	Proteasome subunit beta type-5	reviewed	-	PSMB5	IC50	'='	4580	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05552	Catharanthus roseus	Catharanthus roseus	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}