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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 = 'BDBM50171175'   
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))		BDBM50171175
PNG
(Acetic acid (3S,4aR,4bS,6S,8R,8aR,10aR)-8-benzylca...)
Show SMILES CC(=O)O[C@H]1C[C@@H](C(=O)NCc2ccccc2)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C29H33NO7/c1-17(31)36-22-13-21(26(33)30-15-18-7-5-4-6-8-18)28(2)11-9-20-27(34)37-23(19-10-12-35-16-19)14-29(20,3)25(28)24(22)32/h4-8,10,12,16,20-23,25H,9,11,13-15H2,1-3H3,(H,30,33)/t20-,21-,22-,23-,25-,28-,29-/m0/s1
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Similars
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Binding affinity for 1 uM [3H]-diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells)

Bioorg Med Chem Lett 15: 4169-73 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.092
BindingDB Entry DOI: 10.7270/Q2BP02BX
More data for this
Ligand-Target Pair