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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 = 'BDBM50341303'   
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))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/m0/s1
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PC cid
PC sid
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Similars

Article
PubMed
0.710n/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))
BDBM50341303
PNG
(CHEMBL1766041 | N'-Methyl-aminothiazolo[5,4-b]-N-f...)
Show SMILES CNc1nc2cc3c(C[C@@H]4[C@@H]5CCCC[C@]35CCN4CCCF)cc2s1 |r|
Show InChI InChI=1S/C21H28FN3S/c1-23-20-24-17-13-16-14(12-19(17)26-20)11-18-15-5-2-3-6-21(15,16)7-10-25(18)9-4-8-22/h12-13,15,18H,2-11H2,1H3,(H,23,24)/t15-,18+,21+/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 22n/an/an/an/a



Harvard Medical School

Curated by ChEMBL


Assay Description
Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding 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