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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 = 'BDBM50545667'   
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))		BDBM50545667
PNG
(CHEMBL4634021)
Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]5(Cc1cc(cnc21)-c1cccc(c1)N(C)C)OCCCc1ccccc1)ccc3O |r,THB:10:9:17:4.5.6|
Show InChI InChI=1S/C40H43N3O3/c1-42(2)32-12-6-11-28(21-32)31-20-30-23-40(45-19-7-10-26-8-4-3-5-9-26)34-22-29-15-16-33(44)37-35(29)39(40,38(46-37)36(30)41-24-31)17-18-43(34)25-27-13-14-27/h3-6,8-9,11-12,15-16,20-21,24,27,34,38,44H,7,10,13-14,17-19,22-23,25H2,1-2H3/t34-,38+,39+,40-/m1/s1
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 12n/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