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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 = 'BDBM50034528'   
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))
BDBM50034528
PNG
(CHEMBL3359287)
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-c1cccc(C)c1)C(=O)OC |r|
Show InChI InChI=1S/C30H34O8/c1-16-7-6-8-18(13-16)25-19(10-12-36-25)23-15-30(4)20(28(34)38-23)9-11-29(3)21(27(33)35-5)14-22(37-17(2)31)24(32)26(29)30/h6-8,10,12-13,20-23,26H,9,11,14-15H2,1-5H3/t20-,21-,22-,23-,26-,29-,30-/m0/s1
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Similars

Article
PubMed
n/an/an/an/a 3.40n/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