BDBM50292492 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-(4-(2-acetamido-3-amino-3-oxopropyl)phenoxysulfonyl)benzoate::CHEMBL508477

SMILES: CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)cc1)C(N)=O

InChI Key: InChIKey=NLNVSXFHUXQHEU-INZKQIPDSA-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 = 50292492   

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)	BDBM50292492 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=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/C28H29N7O10S/c1-14(36)34-19(25(30)39)10-15-2-6-17(7-3-15)45-46(41,42)18-8-4-16(5-9-18)28(40)43-11-20-22(37)23(38)27(44-20)35-13-33-21-24(29)31-12-32-26(21)35/h2-9,12-13,19-20,22-23,27,37-38H,10-11H2,1H3,(H2,30,39)(H,34,36)(H2,29,31,32)/t19?,20-,22-,23-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline& French Laboratories Curated by ChEMBL					Assay Description Inhibition of p60-vabl tyrosine kinase isolated from Abelson murine leukemia virus (A-MuLV)				J Med Chem 31: 1762-7 (1988) BindingDB Entry DOI: 10.7270/Q2CV4JB8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase transforming protein Abl (Abelson murine leukemia virus)	BDBM50292492 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES CC(=O)NC(Cc1ccc(OS(=O)(=O)c2ccc(cc2)C(=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/C28H29N7O10S/c1-14(36)34-19(25(30)39)10-15-2-6-17(7-3-15)45-46(41,42)18-8-4-16(5-9-18)28(40)43-11-20-22(37)23(38)27(44-20)35-13-33-21-24(29)31-12-32-26(21)35/h2-9,12-13,19-20,22-23,27,37-38H,10-11H2,1H3,(H2,30,39)(H,34,36)(H2,29,31,32)/t19?,20-,22-,23-,27-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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