BDBM50145092 CHEMBL3763531

SMILES: CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(C)cc1

InChI Key: InChIKey=GVSORFPHFXQBDJ-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 = 50145092   

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))	BDBM50145092 (CHEMBL3763531) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(C)cc1 Show InChI InChI=1S/C26H26N4O/c1-16-7-11-18(12-8-16)22-24(19-13-9-17(10-14-19)15-30(2)3)27-21-6-4-5-20-23(21)25(22)28-29-26(20)31/h4-14,22,24,27H,15H2,1-3H3,(H,29,31)	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	11	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))	BDBM50145092 (CHEMBL3763531) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(C)cc1 Show InChI InChI=1S/C26H26N4O/c1-16-7-11-18(12-8-16)22-24(19-13-9-17(10-14-19)15-30(2)3)27-21-6-4-5-20-23(21)25(22)28-29-26(20)31/h4-14,22,24,27H,15H2,1-3H3,(H,29,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	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