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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 = 'BDBM50034551'   
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))		BDBM50034551
PNG
(CHEMBL3359802)
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)c1ccoc1C#CCCC)C(=O)OC |r|
Show InChI InChI=1S/C28H34O8/c1-6-7-8-9-20-17(11-13-34-20)22-15-28(4)18(26(32)36-22)10-12-27(3)19(25(31)33-5)14-21(35-16(2)29)23(30)24(27)28/h11,13,18-19,21-22,24H,6-7,10,12,14-15H2,1-5H3/t18-,19-,21-,22-,24-,27-,28-/m0/s1
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Article
PubMed
n/an/an/an/a 9.25E+3n/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