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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 = 'BDBM50034535'   
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))		BDBM50034535
PNG
(CHEMBL3359292)
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-c1cccc2ccccc12)C(=O)OC |r|
Show InChI InChI=1S/C33H34O8/c1-18(34)40-25-16-24(30(36)38-4)32(2)14-12-23-31(37)41-26(17-33(23,3)29(32)27(25)35)22-13-15-39-28(22)21-11-7-9-19-8-5-6-10-20(19)21/h5-11,13,15,23-26,29H,12,14,16-17H2,1-4H3/t23-,24-,25-,26-,29-,32-,33-/m0/s1
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Article
PubMed
n/an/an/an/a 37n/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