BDBM50438267 CHEMBL2408003

SMILES: CC1Oc2cc(CN3CCC(=CC3)c3ccc(Cl)cc3)ccc2NC1=O

InChI Key: InChIKey=IOEFGYJFRPPBNM-UHFFFAOYSA-N

Data: 1 Kd

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 = 50438267   

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))	BDBM50438267 (CHEMBL2408003) Show SMILES CC1Oc2cc(CN3CCC(=CC3)c3ccc(Cl)cc3)ccc2NC1=O |c:10| Show InChI InChI=1S/C21H21ClN2O2/c1-14-21(25)23-19-7-2-15(12-20(19)26-14)13-24-10-8-17(9-11-24)16-3-5-18(22)6-4-16/h2-8,12,14H,9-11,13H2,1H3,(H,23,25)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a
Takeda California Curated by ChEMBL					Assay Description Binding affinity to catalytic domain of human PARP1 after 5 mins by surface plasmon resonance assay				Bioorg Med Chem Lett 23: 4501-5 (2013) Article DOI: 10.1016/j.bmcl.2013.06.055 BindingDB Entry DOI: 10.7270/Q2TT4SC9
					More data for this Ligand-Target Pair