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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 = 'BDBM50545673'   
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))		BDBM50545673
PNG
(CHEMBL4634079)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-n1cccc1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C36H37N3O3/c40-29-13-12-26-20-30-36(41-18-6-9-24-7-2-1-3-8-24)21-27-19-28(38-15-4-5-16-38)22-37-32(27)34-35(36,31(26)33(29)42-34)14-17-39(30)23-25-10-11-25/h1-5,7-8,12-13,15-16,19,22,25,30,34,40H,6,9-11,14,17-18,20-21,23H2/t30-,34+,35+,36-/m1/s1
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 14n/an/an/an/an/an/an/an/a



University of Alabama at Birmingham

Curated by ChEMBL


Assay Description
Displacement of [3H]-diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by competition radioligand bin...

J Med Chem 63: 7663-7694 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00503
BindingDB Entry DOI: 10.7270/Q2B56P91
More data for this
Ligand-Target Pair