BDBM50145100 CHEMBL3765318

SMILES: Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCCC2)cc1

InChI Key: InChIKey=LMDYVMNOLJGYBG-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 = 50145100   

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))	BDBM50145100 (CHEMBL3765318) Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C27H25FN4O/c28-20-12-10-18(11-13-20)23-25(19-8-6-17(7-9-19)16-32-14-1-2-15-32)29-22-5-3-4-21-24(22)26(23)30-31-27(21)33/h3-13,23,25,29H,1-2,14-16H2,(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	23	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))	BDBM50145100 (CHEMBL3765318) Show SMILES Fc1ccc(cc1)C1C(Nc2cccc3c2c1n[nH]c3=O)c1ccc(CN2CCCC2)cc1 Show InChI InChI=1S/C27H25FN4O/c28-20-12-10-18(11-13-20)23-25(19-8-6-17(7-9-19)16-32-14-1-2-15-32)29-22-5-3-4-21-24(22)26(23)30-31-27(21)33/h3-13,23,25,29H,1-2,14-16H2,(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	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