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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM364558'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Kappa-type opioid receptor


(Homo sapiens (Human))		BDBM364558
PNG
(N-((4bR,6S,8aS,9R)-11- (cyclopropylmethyl)- 3-meth...)
Show SMILES COc1ccc2C[C@H]3N(CC4CC4)CC[C@@]4(CC5(CC[C@@]34OC5)NC(=O)CC(F)(F)F)c2c1 |r,TLB:9:8:20:31.5.6|
Show InChI InChI=1S/C25H31F3N2O3/c1-32-18-5-4-17-10-20-24-7-6-22(15-33-24,29-21(31)12-25(26,27)28)14-23(24,19(17)11-18)8-9-30(20)13-16-2-3-16/h4-5,11,16,20H,2-3,6-10,12-15H2,1H3,(H,29,31)/t20-,22?,23-,24-/m1/s1
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US Patent
 0.660n/an/an/an/an/an/an/an/a



GNF



Assay Description
Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 μg membrane protein (recomb...

J Med Chem 50: 4255-9 (2007)


BindingDB Entry DOI: 10.7270/Q2222X2R
More data for this
Ligand-Target Pair