BDBM50145097 CHEMBL3764829

SMILES: CN1CCN(Cc2ccc(cc2)C2Nc3cccc4c3c(n[nH]c4=O)C2c2ccccc2)CC1

InChI Key: InChIKey=IBTSZGGZYOHTBG-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 = 50145097   

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))	BDBM50145097 (CHEMBL3764829) Show SMILES CN1CCN(Cc2ccc(cc2)C2Nc3cccc4c3c(n[nH]c4=O)C2c2ccccc2)CC1 Show InChI InChI=1S/C28H29N5O/c1-32-14-16-33(17-15-32)18-19-10-12-21(13-11-19)26-24(20-6-3-2-4-7-20)27-25-22(28(34)31-30-27)8-5-9-23(25)29-26/h2-13,24,26,29H,14-18H2,1H3,(H,31,34)	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	41	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))	BDBM50145097 (CHEMBL3764829) Show SMILES CN1CCN(Cc2ccc(cc2)C2Nc3cccc4c3c(n[nH]c4=O)C2c2ccccc2)CC1 Show InChI InChI=1S/C28H29N5O/c1-32-14-16-33(17-15-32)18-19-10-12-21(13-11-19)26-24(20-6-3-2-4-7-20)27-25-22(28(34)31-30-27)8-5-9-23(25)29-26/h2-13,24,26,29H,14-18H2,1H3,(H,31,34)	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