Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50398754'   

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 (Homo sapiens (Human))	BDBM50398754 (CHEMBL2179654) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r| Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50398754 (CHEMBL2179654) Show SMILES CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@]3(Cc1cc(cnc41)-c1ccc(Cl)cc1)OCc1ccccc1)ccc5O |r| Show InChI InChI=1S/C33H29ClN2O3/c1-36-14-13-32-28-22-9-12-26(37)30(28)39-31(32)29-23(15-24(18-35-29)21-7-10-25(34)11-8-21)17-33(32,27(36)16-22)38-19-20-5-3-2-4-6-20/h2-12,15,18,27,31,37H,13-14,16-17,19H2,1H3/t27-,31+,32+,33-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	215	n/a	n/a	n/a	n/a
Southern Research Institute Curated by ChEMBL					Assay Description Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by scintillation counting analysis				J Med Chem 55: 8350-63 (2012) Article DOI: 10.1021/jm300686p BindingDB Entry DOI: 10.7270/Q2N87BX5
					More data for this Ligand-Target Pair