BDBM50292486 ((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl 4-(N-benzylsulfamoyl)benzoate::CHEMBL485853

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccccc2)[C@@H](O)[C@H]1O

InChI Key: InChIKey=ATHXIKWXFMQKIY-ZDXOVATRSA-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 = 50292486   

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)	BDBM50292486 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H24N6O7S/c25-21-18-22(27-12-26-21)30(13-28-18)23-20(32)19(31)17(37-23)11-36-24(33)15-6-8-16(9-7-15)38(34,35)29-10-14-4-2-1-3-5-14/h1-9,12-13,17,19-20,23,29,31-32H,10-11H2,(H2,25,26,27)/t17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.50E+4	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)	BDBM50292486 (((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COC(=O)c2ccc(cc2)S(=O)(=O)NCc2ccccc2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C24H24N6O7S/c25-21-18-22(27-12-26-21)30(13-28-18)23-20(32)19(31)17(37-23)11-36-24(33)15-6-8-16(9-7-15)38(34,35)29-10-14-4-2-1-3-5-14/h1-9,12-13,17,19-20,23,29,31-32H,10-11H2,(H2,25,26,27)/t17-,19-,20-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	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