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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 = 'BDBM50256687'   
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))		BDBM50256687
PNG
(CHEMBL4065923)
Show SMILES [H][C@@]12[C@@H](C)[C@@](CC)(CCN1CC1CC1)c1cc(O)ccc1C2=O |r,TLB:22:21:9.8.7:2,10:9:20.14.21:2,THB:15:14:9.8.7:2|
Show InChI InChI=1S/C19H25NO2/c1-3-19-8-9-20(11-13-4-5-13)17(12(19)2)18(22)15-7-6-14(21)10-16(15)19/h6-7,10,12-13,17,21H,3-5,8-9,11H2,1-2H3/t12-,17+,19-/m1/s1
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Similars
Article
PubMed
n/an/an/an/a 2.20n/an/an/an/a



Drug Design and Synthesis Section, Molecular Targets and Medications Discovery Branch, Intramural Research Program, National Institute on Drug Abuse and the National Institute on Alcohol Abuse and Al

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cell membranes assessed as stimulation of [35S]GTPgammaS binding incubated for 1 hr ...

Bioorg Med Chem 25: 2406-2422 (2017)


Article DOI: 10.1016/j.bmc.2017.02.064
BindingDB Entry DOI: 10.7270/Q2765HS8
More data for this
Ligand-Target Pair