BDBM50145091 CHEMBL3763164

SMILES: CC(C)c1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN(C)C)cc1

InChI Key: InChIKey=PRXUVUNGLYWTRB-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 = 50145091   

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))	BDBM50145091 (CHEMBL3763164) Show SMILES CC(C)c1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C28H30N4O/c1-17(2)19-12-14-20(15-13-19)24-26(21-10-8-18(9-11-21)16-32(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)33/h5-15,17,24,26,29H,16H2,1-4H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of PARP in human LoVo cells assessed as inhibition of poly(ADP)-ribose polymerization for 30 mins by fluorescence assay				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50145091 (CHEMBL3763164) Show SMILES CC(C)c1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C28H30N4O/c1-17(2)19-12-14-20(15-13-19)24-26(21-10-8-18(9-11-21)16-32(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)33/h5-15,17,24,26,29H,16H2,1-4H3,(H,31,33)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	n/a
BioMarin Pharmaceutical Inc. Curated by ChEMBL					Assay Description Inhibition of human PARP1 using [3H]NAD as substrate after 1 min by microplate scintillation counting analysis				J Med Chem 59: 335-57 (2016) BindingDB Entry DOI: 10.7270/Q2K35WJR
					More data for this Ligand-Target Pair