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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 = 'BDBM50034544'   
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))		BDBM50034544
PNG
(CHEMBL3359796)
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\C=C\c1ccccc1)C(=O)OC |r|
Show InChI InChI=1S/C31H34O8/c1-18(32)38-24-16-22(28(34)36-4)30(2)14-12-21-29(35)39-25(17-31(21,3)27(30)26(24)33)20-13-15-37-23(20)11-10-19-8-6-5-7-9-19/h5-11,13,15,21-22,24-25,27H,12,14,16-17H2,1-4H3/b11-10+/t21-,22-,24-,25-,27-,30-,31-/m0/s1
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Similars
Article
PubMed
n/an/an/an/a 20n/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