BDBM50145090 CHEMBL3764811

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

InChI Key: InChIKey=UMCZUCYEMNNRPS-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 = 50145090   

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))	BDBM50145090 (CHEMBL3764811) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C28H31N5O/c1-32(2)16-18-8-12-20(13-9-18)24-26(21-14-10-19(11-15-21)17-33(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)34/h5-15,24,26,29H,16-17H2,1-4H3,(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	19	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))	BDBM50145090 (CHEMBL3764811) Show SMILES CN(C)Cc1ccc(cc1)C1Nc2cccc3c2c(n[nH]c3=O)C1c1ccc(CN(C)C)cc1 Show InChI InChI=1S/C28H31N5O/c1-32(2)16-18-8-12-20(13-9-18)24-26(21-14-10-19(11-15-21)17-33(3)4)29-23-7-5-6-22-25(23)27(24)30-31-28(22)34/h5-15,24,26,29H,16-17H2,1-4H3,(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	3.90	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