BDBM50292493 CHEMBL452973::{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}({[({[({[4-(2-carbamoyl-2-acetamidoethyl)phenyl]amino}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy})phosphinic acid

SMILES: CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O

InChI Key: InChIKey=BJAGKSRQTGUUGO-YDSQADTNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50292493   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292493 (CHEMBL452973 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...) Show SMILES CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r| Show InChI InChI=1S/C21H30N8O17P4/c1-10(30)27-13(19(23)33)6-11-2-4-12(5-3-11)28-47(34,35)44-49(38,39)46-50(40,41)45-48(36,37)42-7-14-16(31)17(32)21(43-14)29-9-26-15-18(22)24-8-25-20(15)29/h2-5,8-9,13-14,16-17,21,31-32H,6-7H2,1H3,(H2,23,33)(H,27,30)(H,36,37)(H,38,39)(H,40,41)(H2,22,24,25)(H2,28,34,35)/t13?,14-,16-,17-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60v-abl tyrosine kinase from Abelson murine leukemia virus				J Med Chem 31: 1768-72 (1988) BindingDB Entry DOI: 10.7270/Q2833SMV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292493 (CHEMBL452973 | {[(2R,3S,4R,5R)-5-(6-amino-9H-purin...) Show SMILES CC(=O)NC(Cc1ccc(NP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O |r| Show InChI InChI=1S/C21H30N8O17P4/c1-10(30)27-13(19(23)33)6-11-2-4-12(5-3-11)28-47(34,35)44-49(38,39)46-50(40,41)45-48(36,37)42-7-14-16(31)17(32)21(43-14)29-9-26-15-18(22)24-8-25-20(15)29/h2-5,8-9,13-14,16-17,21,31-32H,6-7H2,1H3,(H2,23,33)(H,27,30)(H,36,37)(H,38,39)(H,40,41)(H2,22,24,25)(H2,28,34,35)/t13?,14-,16-,17-,21-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of Abelson murine leukemia virus p60 v-abl				J Nat Prod 55: 1529-1560 (1992) Article DOI: 10.1021/np50089a001 BindingDB Entry DOI: 10.7270/Q2J966CC
					More data for this Ligand-Target Pair