Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271499'   

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))	BDBM50271499 ((3S,6R)-7-(2-Adamantan-1-yl-ethyl)-6-isobutyl-3-me...) Show SMILES CC(C)C[C@@H]1CN2[C@@H](C)C[NH+]=C2N1CCC12CC3CC(CC(C3)C1)C2 |r,c:10,TLB:14:15:18.17.22:20,THB:16:17:20:24.15.23,16:15:18.17.22:20,23:15:18:22.21.20,23:21:18:24.16.15| Show InChI InChI=1S/C22H37N3/c1-15(2)6-20-14-25-16(3)13-23-21(25)24(20)5-4-22-10-17-7-18(11-22)9-19(8-17)12-22/h15-20H,4-14H2,1-3H3/p+1/t16-,17?,18?,19?,20+,22?/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.64E+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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