Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50316618'   

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 (Cavia porcellus (domestic guinea pig))	BDBM50316618 ((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13| Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	152	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain membrane after 150 mins by scintillation counting				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50316618 ((-)-1-[(1R,2R,5S)-6-Benzyl-2-(pyrrolidin-1-yl)-6,8...) Show SMILES Clc1ccc(CC(=O)N2C[C@@H]3CC[C@H]([C@H]2CN3Cc2ccccc2)N2CCCC2)cc1Cl |r,TLB:24:13:8.9:16.15,THB:17:16:8.9:11.12.13| Show InChI InChI=1S/C26H31Cl2N3O/c27-22-10-8-20(14-23(22)28)15-26(32)31-17-21-9-11-24(29-12-4-5-13-29)25(31)18-30(21)16-19-6-2-1-3-7-19/h1-3,6-8,10,14,21,24-25H,4-5,9,11-13,15-18H2/t21-,24+,25+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wilhelms-Universit£t M£nster Curated by ChEMBL					Assay Description Agonist activity at human recombinant kappa opioid receptor expressed in HEK293 cells assessed as stimulation of [35S]GTPgammaS binding after 45 mins...				J Med Chem 53: 4212-22 (2010) Article DOI: 10.1021/jm100182p BindingDB Entry DOI: 10.7270/Q2PZ59RZ
					More data for this Ligand-Target Pair