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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 = 'BDBM62195'   
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))
BDBM62195
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(3,4-di...)
Show SMILES Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-12-7-6-11(8-13(12)19)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
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PC cid
PC sid
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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))
BDBM62195
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(3,4-di...)
Show SMILES Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-12-7-6-11(8-13(12)19)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
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PCBioAssay
n/an/a 1.19E+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))
BDBM62195
PNG
((phenylmethyl) N-[2,2,2-tris(chloranyl)-1-[(3,4-di...)
Show SMILES Clc1ccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)cc1Cl
Show InChI InChI=1S/C17H14Cl5N3O2S/c18-12-7-6-11(8-13(12)19)23-15(28)24-14(17(20,21)22)25-16(26)27-9-10-4-2-1-3-5-10/h1-8,14H,9H2,(H,25,26)(H2,23,24,28)
PDB

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KEGG

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antibodypedia
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PC cid
PC sid
UniChem

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