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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM50341288'   
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))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.840n/an/an/an/an/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50341288
PNG
(CHEMBL1766026 | N'-Trifluoroethyl-aminothiazolo[5,...)
Show SMILES FC(F)(F)CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CC3CC3)cc2s1 |r,THB:23:22:11.10.12:14|
Show InChI InChI=1S/C23H28F3N3S/c24-23(25,26)13-27-21-28-18-11-17-15(10-20(18)30-21)9-19-16-3-1-2-6-22(16,17)7-8-29(19)12-14-4-5-14/h10-11,14,16,19H,1-9,12-13H2,(H,27,28)/t16-,19+,22+/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 120n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting


J Med Chem 54: 1903-13 (2011)


Article DOI: 10.1021/jm101542c
BindingDB Entry DOI: 10.7270/Q2028SJ1
More data for this
Ligand-Target Pair