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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 = 'BDBM50148868'   
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))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1
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PC cid
PC sid
UniChem
Article
PubMed
130n/an/an/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Displacement of [3H]diprenorphine from human KOR expressed in CHO cells after 1 hr by liquid scintillation counting method


ACS Med Chem Lett 6: 1199-203 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM50148868
PNG
(CHEMBL3770024)
Show SMILES Cc1cccc(C)c1C[C@H](N)C(=O)N[C@@H]1CCNc2ccc(Cc3ccccc3)cc12 |r|
Show InChI InChI=1S/C27H31N3O/c1-18-7-6-8-19(2)22(18)17-24(28)27(31)30-26-13-14-29-25-12-11-21(16-23(25)26)15-20-9-4-3-5-10-20/h3-12,16,24,26,29H,13-15,17,28H2,1-2H3,(H,30,31)/t24-,26+/m0/s1
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 4.80E+3n/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Agonist activity at human KOR expressed in CHO cells after 1 hr by [35S]GTPgammaS binding assay


ACS Med Chem Lett 6: 1199-203 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00344
BindingDB Entry DOI: 10.7270/Q20V8FN5
More data for this
Ligand-Target Pair