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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Kappa-type opioid receptor' and Ligand = 'BDBM62192'   
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))
BDBM62192
PNG
((4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylide...)
Show SMILES Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
Show InChI InChI=1S/C21H17ClN4O/c1-13-5-7-15(8-6-13)26-21(27)17(14(2)25-26)12-24-19-10-9-18(22)16-4-3-11-23-20(16)19/h3-12,25H,1-2H3/b24-12+
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.00E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2H70D7S
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62192
PNG
((4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylide...)
Show SMILES Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
Show InChI InChI=1S/C21H17ClN4O/c1-13-5-7-15(8-6-13)26-21(27)17(14(2)25-26)12-24-19-10-9-18(22)16-4-3-11-23-20(16)19/h3-12,25H,1-2H3/b24-12+
PDB

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UniChem

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PCBioAssay
n/an/a 3.20E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q25T3HZB
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM62192
PNG
((4Z)-4-[[(5-chloranylquinolin-8-yl)amino]methylide...)
Show SMILES Cc1[nH]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)c2cccnc12 |w:15.17|
Show InChI InChI=1S/C21H17ClN4O/c1-13-5-7-15(8-6-13)26-21(27)17(14(2)25-26)12-24-19-10-9-18(22)16-4-3-11-23-20(16)19/h3-12,25H,1-2H3/b24-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a 3.85E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics Source Affiliation: Sanford-Burnham Medical Research Institute Network: NIH Molecular Lib...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24T6GTZ
More data for this
Ligand-Target Pair