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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 = 'BDBM50001590'   
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))		BDBM50001590
PNG
(CHEMBL3237722)
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)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1S/C34H46N6O7S2/c1-18-11-22(42)12-19(2)23(18)13-24(35)29(44)38-26-17-48-9-10-49-33(3,4)27(31(46)37-25(16-41)28(36)43)39-32(47)34(40-30(26)45)14-20-7-5-6-8-21(20)15-34/h5-8,11-12,24-27,41-42H,9-10,13-17,35H2,1-4H3,(H2,36,43)(H,37,46)(H,38,44)(H,39,47)(H,40,45)/t24-,25-,26+,27-/m0/s1
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Similars
Article
PubMed
 93n/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