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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Delta-type opioid receptor' and Ligand = 'BDBM50506225'   
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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM50506225
PNG
(CHEMBL4562210)
Show SMILES Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)c1ccc2sccc2c1)ccc3O |r,THB:11:10:18:7.6.5|
Show InChI InChI=1S/C29H30N2O4S.ClH/c32-21-5-3-18-14-23-29(34)9-7-20(30-27(33)19-4-6-22-17(13-19)8-12-36-22)26-28(29,24(18)25(21)35-26)10-11-31(23)15-16-1-2-16;/h3-6,8,12-13,16,20,23,26,32,34H,1-2,7,9-11,14-15H2,(H,30,33);1H/t20-,23-,26+,28+,29-;/m1./s1
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PC cid
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Article
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 1.40n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Displacement of [3H]-norBNI from human delta opioid receptor expressed in CHO cells incubated for 1.5 hrs by competitive radioligand binding assay

J Med Chem 62: 11399-11415 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01767
BindingDB Entry DOI: 10.7270/Q2G73J1K
More data for this
Ligand-Target Pair