Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50305084'   

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))	BDBM50305084 (7alpha-phenyl-6alpha,14alpha-endo-Ethenotetrahydro...) Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)[C@]1(OC)C=C[C@@]35C[C@@H]1c1ccccc1 |r,wU:7.7,17.20,wD:13.13,12.18,22.24,24.30,c:23,(-7.92,.41,;-6.59,1.18,;-5.24,.4,;-3.92,1.18,;-2.58,.41,;-2.58,-1.14,;-1.24,-1.9,;-1.24,-3.45,;.09,-4.23,;1.24,-5.25,;-1.05,-2.67,;-2.59,-2.67,;-3.91,-3.45,;-5.25,-4.22,;-6.03,-2.47,;-5.25,-1.14,;-3.92,-1.91,;-5.25,-5.76,;-6.73,-6.21,;-7.08,-7.71,;-3.83,-5.78,;-3.95,-4.22,;-2.58,-4.23,;-2.58,-5.76,;-3.91,-6.54,;-3.91,-8.08,;-5.25,-8.84,;-5.25,-10.38,;-3.91,-11.15,;-2.57,-10.37,;-2.58,-8.83,)| Show InChI InChI=1S/C27H29NO3/c1-28-14-13-26-22-18-9-10-20(29-2)23(22)31-24(26)27(30-3)12-11-25(26,21(28)15-18)16-19(27)17-7-5-4-6-8-17/h4-12,19,21,24H,13-16H2,1-3H3/t19-,21-,24-,25-,26+,27+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Displacement of [3H]diprenorphine from human kappa receptor expressed in CHO cells by scintillation counting				Bioorg Med Chem Lett 20: 418-21 (2010) Article DOI: 10.1016/j.bmcl.2009.07.119 BindingDB Entry DOI: 10.7270/Q2BG2P4C
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