Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM50110833'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50110833 (CHEMBL3605983 | US10800739, Compound (3) | US11420...) Show SMILES NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Inhibition of PARP1 in human HeLa cells assessed as reduction of H2O2-induced PAR formation preincubated for 30 mins followed by H2O2 addition measur...				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110833 (CHEMBL3605983 | US10800739, Compound (3) | US11420...) Show SMILES NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Preferably, for the screening method above cited, both the PARP protein and the 5H-phenanthridin-6-one-derived probe of formula (IP) are pre-mixed, o...				US Patent US10800739 (2020) BindingDB Entry DOI: 10.7270/Q2BP05VW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110833 (CHEMBL3605983 | US10800739, Compound (3) | US11420...) Show SMILES NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The assay is based on the use of a probe of formula (IP) that binds to the NAD binding pocket and takes advantage of the significant change in the po...				Citation and Details BindingDB Entry DOI: 10.7270/Q20G3PCS
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50110833 (CHEMBL3605983 | US10800739, Compound (3) | US11420...) Show SMILES NC(=O)c1cccc2CN(CCN3CCc4ccccc4C3)C(=O)c12 Show InChI InChI=1S/C20H21N3O2/c21-19(24)17-7-3-6-16-13-23(20(25)18(16)17)11-10-22-9-8-14-4-1-2-5-15(14)12-22/h1-7H,8-13H2,(H2,21,24)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences Srl Curated by ChEMBL					Assay Description Binding affinity to full length recombinant human PARP-1 by fluorescence polarization displacement assay				J Med Chem 58: 6875-98 (2015) Article DOI: 10.1021/acs.jmedchem.5b00680 BindingDB Entry DOI: 10.7270/Q2JD4ZKF
					More data for this Ligand-Target Pair