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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 = 'BDBM50034534'   
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))		BDBM50034534
PNG
(CHEMBL3359291)
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-c1ccc(OC)cc1)C(=O)OC |r|
Show InChI InChI=1S/C30H34O9/c1-16(31)38-22-14-21(27(33)36-5)29(2)12-10-20-28(34)39-23(15-30(20,3)26(29)24(22)32)19-11-13-37-25(19)17-6-8-18(35-4)9-7-17/h6-9,11,13,20-23,26H,10,12,14-15H2,1-5H3/t20-,21-,22-,23-,26-,29-,30-/m0/s1
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Article
PubMed
n/an/an/an/a 16n/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