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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 = 'BDBM50001588'   
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))		BDBM50001588
PNG
(CHEMBL3237720)
Show SMILES Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@@H](NC(=O)C2(Cc3ccccc3C2)NC1=O)C(O)=O |r|
Show InChI InChI=1S/C31H40N4O6S2/c1-17-11-21(36)12-18(2)22(17)13-23(32)26(37)33-24-16-42-9-10-43-30(3,4)25(28(39)40)34-29(41)31(35-27(24)38)14-19-7-5-6-8-20(19)15-31/h5-8,11-12,23-25,36H,9-10,13-16,32H2,1-4H3,(H,33,37)(H,34,41)(H,35,38)(H,39,40)/t23-,24+,25-/m0/s1
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Similars
Article
PubMed
 776n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes after 1 hr by liquid scintillation counting analys...

J Med Chem 57: 3148-53 (2014)


Article DOI: 10.1021/jm5002088
BindingDB Entry DOI: 10.7270/Q26T0P4T
More data for this
Ligand-Target Pair