Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor [M142A]' and Ligand = 'BDBM214799'   

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
Kappa-type opioid receptor [M142A] (Homo sapiens (Human))	BDBM214799 (1xx) Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl |r,c:12| Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	-43.9	n/a	n/a	n/a	n/a	n/a	7.4	25
University of North Carolina School of Medicine					Assay Description Radioligand binding assays were performed as previously detailed [Yan et al., Biochemistry, 48:6898-6908]. In brief, crude cell membranes were prepar...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair
Kappa-type opioid receptor [M142A] (Homo sapiens (Human))	BDBM214799 (1xx) Show SMILES FC(F)(F)c1cc(NC(=O)[C@H]2CC=C[C@H]3CCN(Cc4ccccc4)C(=O)[C@@H]23)ccc1Cl |r,c:12| Show InChI InChI=1S/C24H22ClF3N2O2/c25-20-10-9-17(13-19(20)24(26,27)28)29-22(31)18-8-4-7-16-11-12-30(23(32)21(16)18)14-15-5-2-1-3-6-15/h1-7,9-10,13,16,18,21H,8,11-12,14H2,(H,29,31)/t16-,18-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	7.4	n/a
University of North Carolina School of Medicine					Assay Description HEK293T cells were co-transfected with plasmids encoding the cAMP biosensor GloSensor-22F (Promega) and the different human KOR variants as described...				J Biol Chem 288: 34470-83 (2013) Article DOI: 10.1074/jbc.M113.515668 BindingDB Entry DOI: 10.7270/Q2P849RP
					More data for this Ligand-Target Pair