BDBM50145099 CHEMBL3763243

SMILES: O=c1[nH]nc2C(C(Nc3cccc1c23)c1ccc(CN2CCC2)cc1)c1ccccc1

InChI Key: InChIKey=DDDWCXKAHSQDHC-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 = 50145099   

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))	BDBM50145099 (CHEMBL3763243) Show SMILES O=c1[nH]nc2C(C(Nc3cccc1c23)c1ccc(CN2CCC2)cc1)c1ccccc1 Show InChI InChI=1S/C26H24N4O/c31-26-20-8-4-9-21-23(20)25(28-29-26)22(18-6-2-1-3-7-18)24(27-21)19-12-10-17(11-13-19)16-30-14-5-15-30/h1-4,6-13,22,24,27H,5,14-16H2,(H,29,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	9.70	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))	BDBM50145099 (CHEMBL3763243) Show SMILES O=c1[nH]nc2C(C(Nc3cccc1c23)c1ccc(CN2CCC2)cc1)c1ccccc1 Show InChI InChI=1S/C26H24N4O/c31-26-20-8-4-9-21-23(20)25(28-29-26)22(18-6-2-1-3-7-18)24(27-21)19-12-10-17(11-13-19)16-30-14-5-15-30/h1-4,6-13,22,24,27H,5,14-16H2,(H,29,31)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.60	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