BDBM50413274 CHEMBL2094004

SMILES: CC1(C)CC(CSc2nc3cccc(C(N)=O)c3[nH]2)=CC(C)(C)N1O

InChI Key: InChIKey=UJVDBCFFKRDFKX-UHFFFAOYSA-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 = 50413274   

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 (Rattus norvegicus)	BDBM50413274 (CHEMBL2094004) Show SMILES CC1(C)CC(CSc2nc3cccc(C(N)=O)c3[nH]2)=CC(C)(C)N1O |c:20| Show InChI InChI=1S/C18H24N4O2S/c1-17(2)8-11(9-18(3,4)22(17)24)10-25-16-20-13-7-5-6-12(15(19)23)14(13)21-16/h5-8,24H,9-10H2,1-4H3,(H2,19,23)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Pecs Curated by ChEMBL					Assay Description Inhibition of rat liver PARP1 by scintillation counting				J Med Chem 52: 1619-29 (2009) Article DOI: 10.1021/jm801476y BindingDB Entry DOI: 10.7270/Q29S1QXH
					More data for this Ligand-Target Pair