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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 = 'BDBM50280149'   
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))
BDBM50280149
PNG
(1-[4-Acetyl-2-((S)-3-hydroxy-pyrrolidin-1-ylmethyl...)
Show SMILES CC(=O)N1CCN(C(CN2CC[C@H](O)C2)C1)C(=O)Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H26F3N3O3/c1-14(27)25-8-9-26(17(12-25)11-24-7-6-18(28)13-24)19(29)10-15-2-4-16(5-3-15)20(21,22)23/h2-5,17-18,28H,6-13H2,1H3/t17?,18-/m0/s1
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PC cid
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Article
n/an/a 1.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonistic activity at kappa opioid receptor of rabbit vas deferens


Bioorg Med Chem Lett 2: 1275-1278 (1992)


Article DOI: 10.1016/S0960-894X(00)80229-2
BindingDB Entry DOI: 10.7270/Q2125SKN
More data for this
Ligand-Target Pair