Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Poly [ADP-ribose] polymerase 1' and Ligand = 'BDBM27502'   

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))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Pondicherry University Curated by ChEMBL					Assay Description Inhibition of PARP1 (unknown origin) in presence of NAD+ by homogenous fluorescence plate assay				Bioorg Med Chem 23: 488-98 (2015) Article DOI: 10.1016/j.bmc.2014.12.017 BindingDB Entry DOI: 10.7270/Q2BV7J9N
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens)	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	372	n/a	n/a	n/a	n/a	7.8	22
University of Konstanz					Assay Description The enzymatic reaction of the recombinant PARP was quantified by SPA. Radioactivity incorporated from [3H]NAD+ into PAR, and then being captured by P...				Mol Pharmacol 74: 1587-98 (2008) Article DOI: 10.1124/mol.108.048751 BindingDB Entry DOI: 10.7270/Q2M61HKG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM27502 (3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoq...) Show SMILES O=C1NCCc2c(OCCCCN3CCCCC3)cccc12 Show InChI InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sookmyung Women's University Curated by ChEMBL					Assay Description Inhibition of PARP1				Bioorg Med Chem 17: 7537-41 (2009) Article DOI: 10.1016/j.bmc.2009.09.014 BindingDB Entry DOI: 10.7270/Q2M32VVJ
					More data for this Ligand-Target Pair