BDBM50255573 CHEMBL473036::N1-((((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methoxy)methyl)-N4-(1-oxoisoindolin-4-yl)succinamide

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCNC(=O)CCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O

InChI Key: InChIKey=JQKHGVSRKKBGRR-CKIDLJBISA-N

Data: 1 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 1 hit for monomerid = 50255573   

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
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50255573 (CHEMBL473036 | N1-((((2R,3S,4R,5R)-5-(6-amino-9H-p...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COCNC(=O)CCC(=O)Nc2cccc3C(=O)NCc23)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C23H26N8O7/c24-20-17-21(27-8-26-20)31(9-28-17)23-19(35)18(34)14(38-23)7-37-10-29-15(32)4-5-16(33)30-13-3-1-2-11-12(13)6-25-22(11)36/h1-3,8-9,14,18-19,23,34-35H,4-7,10H2,(H,25,36)(H,29,32)(H,30,33)(H2,24,26,27)/t14-,18-,19-,23-/m1/s1	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Huazhong University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant PARP1				J Med Chem 52: 718-25 (2009) Article DOI: 10.1021/jm800902t BindingDB Entry DOI: 10.7270/Q2C53KPW
					More data for this Ligand-Target Pair