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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 = 'BDBM50194392'   
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))		BDBM50194392
PNG
((2S,4aR,6aS,7R,9S,10aS,10bR)-7-(1-(2-cyanoethyl)-1...)
Show SMILES CC(=O)O[C@H]1C[C@@H](c2nnnn2CCC#N)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1
Show InChI InChI=1S/C25H29N5O6/c1-14(31)35-18-11-17(22-27-28-29-30(22)9-4-8-26)24(2)7-5-16-23(33)36-19(15-6-10-34-13-15)12-25(16,3)21(24)20(18)32/h6,10,13,16-19,21H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,19-,21-,24-,25-/m0/s1
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PC cid
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UniChem
Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells

Bioorg Med Chem Lett 16: 5498-502 (2006)


Article DOI: 10.1016/j.bmcl.2006.08.051
BindingDB Entry DOI: 10.7270/Q2QN66CC
More data for this
Ligand-Target Pair