Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271771'   

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))	BDBM50271771 ((3S,6S)-7-(2-Adamantan-1-yl-ethyl)-3-cyclohexyl-6-...) Show SMILES COc1ccc(C[C@H]2CN3[C@H](C[NH+]=C3N2CCC23CC4CC(CC(C4)C2)C3)C2CCCCC2)cc1 |r,c:12,TLB:16:17:20.19.24:22,THB:18:19:22:26.17.25,18:17:20.19.24:22,25:17:20:24.23.22,25:23:20:26.18.17| Show InChI InChI=1S/C31H45N3O/c1-35-28-9-7-22(8-10-28)16-27-21-34-29(26-5-3-2-4-6-26)20-32-30(34)33(27)12-11-31-17-23-13-24(18-31)15-25(14-23)19-31/h7-10,23-27,29H,2-6,11-21H2,1H3/p+1/t23?,24?,25?,27-,29+,31?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Torrey Pines Institute for Molecular Studies Curated by ChEMBL					Assay Description Displacement of [3H]U69593 from kappa opioid receptor in guinea pig brain homogenate				Bioorg Med Chem 16: 5932-8 (2008) Article DOI: 10.1016/j.bmc.2008.04.061 BindingDB Entry DOI: 10.7270/Q2BG2PW7
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