Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50271308'   

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))	BDBM50271308 ((2S,5S)-1-[2-(adamantan-1-yl)ethyl]-2,5-dicyclohex...) Show SMILES C(CC12CC3CC(CC(C3)C1)C2)N1[C@H](CN2[C@H](C[NH+]=C12)C1CCCCC1)C1CCCCC1 |r,t:21,TLB:1:2:5.4.9:7,THB:3:4:7:11.2.10,3:2:5.4.9:7,10:2:5:9.8.7,10:8:5:11.3.2| Show InChI InChI=1S/C29H47N3/c1-3-7-24(8-4-1)26-19-30-28-31(27(20-32(26)28)25-9-5-2-6-10-25)12-11-29-16-21-13-22(17-29)15-23(14-21)18-29/h21-27H,1-20H2/p+1/t21?,22?,23?,26-,27-,29?/m1/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.49E+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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