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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 = 'BDBM50034538'   
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))		BDBM50034538
PNG
(CHEMBL3359294)
Show SMILES [H][C@@]12CC[C@@]3(C)[C@@H](C[C@H](OC(C)=O)C(=O)[C@]3([H])[C@@]1(C)C[C@H](OC2=O)c1ccoc1-c1ccco1)C(=O)OC |r|
Show InChI InChI=1S/C27H30O9/c1-14(28)35-19-12-17(24(30)32-4)26(2)9-7-16-25(31)36-20(13-27(16,3)23(26)21(19)29)15-8-11-34-22(15)18-6-5-10-33-18/h5-6,8,10-11,16-17,19-20,23H,7,9,12-13H2,1-4H3/t16-,17-,19-,20-,23-,26-,27-/m0/s1
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Article
PubMed
n/an/an/an/a 6.70n/an/an/an/a



The University of Kansas

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...

J Med Chem 57: 10464-75 (2014)


Article DOI: 10.1021/jm501521d
BindingDB Entry DOI: 10.7270/Q2J38V6P
More data for this
Ligand-Target Pair