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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 = 'BDBM50545665'   
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))		BDBM50545665
PNG
(CHEMBL4640139)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(O)c1)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C38H38N2O4/c41-30-10-4-9-26(19-30)29-18-28-21-38(43-17-5-8-24-6-2-1-3-7-24)32-20-27-13-14-31(42)35-33(27)37(38,36(44-35)34(28)39-22-29)15-16-40(32)23-25-11-12-25/h1-4,6-7,9-10,13-14,18-19,22,25,32,36,41-42H,5,8,11-12,15-17,20-21,23H2/t32-,36+,37+,38-/m1/s1
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 18n/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