BDBM50445826 CHEMBL3105402

SMILES: O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1cccs1

InChI Key: InChIKey=YMIQFFBYZDVYBQ-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 = 50445826   

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))	BDBM50445826 (CHEMBL3105402) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20N4O3S/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human PARP-1 expressed in Escherichia coli after 30 mins by fluorescence-based assay				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50445826 (CHEMBL3105402) Show SMILES O=C(CCc1nc2ccccc2c(=O)[nH]1)N1CCN(CC1)C(=O)c1cccs1 Show InChI InChI=1S/C20H20N4O3S/c25-18(8-7-17-21-15-5-2-1-4-14(15)19(26)22-17)23-9-11-24(12-10-23)20(27)16-6-3-13-28-16/h1-6,13H,7-12H2,(H,21,22,26)	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	256	n/a	n/a	n/a	n/a
R&D Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. Curated by ChEMBL					Assay Description Inhibition of PARP-1-mediated PARylation in H2O2-induced human HeLa cells preincubated for 3 hrs followed by H2O2 addition measured after 5 mins by D...				Bioorg Med Chem Lett 24: 462-6 (2014) Article DOI: 10.1016/j.bmcl.2013.12.048 BindingDB Entry DOI: 10.7270/Q26H4JV0
					More data for this Ligand-Target Pair