BDBM50438602 CHEMBL2414045

SMILES: COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1

InChI Key: InChIKey=MMTKUKSRLAPBPM-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50438602   

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))	BDBM50438602 (CHEMBL2414045) Show SMILES COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of human PARP-1 assessed as synthesis of [3H]-ADP-ribose polymers from [3H]-NAD+ by scintillation proximity assay				Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D
					More data for this Ligand-Target Pair
poly-ADP-ribose polymerase 2 (PARP2) (Mus musculus (Mouse))	BDBM50438602 (CHEMBL2414045) Show SMILES COc1ccc(cc1)-c1cc2c(N)cccc2c(=O)[nH]1 Show InChI InChI=1S/C16H14N2O2/c1-20-11-7-5-10(6-8-11)15-9-13-12(16(19)18-15)3-2-4-14(13)17/h2-9H,17H2,1H3,(H,18,19)	PDB MMDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
University of Bath Curated by ChEMBL					Assay Description Inhibition of mouse PARP-2				Bioorg Med Chem 21: 5218-27 (2013) Article DOI: 10.1016/j.bmc.2013.06.031 BindingDB Entry DOI: 10.7270/Q2BP047D
					More data for this Ligand-Target Pair