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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 = 'BDBM50099647'   
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))		BDBM50099647
PNG
(CHEMBL3359807)
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(N)c1)C(=O)OC |r|
Show InChI InChI=1S/C29H33NO8/c1-15(31)37-21-13-20(26(33)35-4)28(2)10-8-19-27(34)38-22(14-29(19,3)25(28)23(21)32)18-9-11-36-24(18)16-6-5-7-17(30)12-16/h5-7,9,11-12,19-22,25H,8,10,13-14,30H2,1-4H3/t19-,20-,21-,22-,25-,28-,29-/m0/s1
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Article
PubMed
n/an/an/an/a 630n/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