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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 = 'BDBM62204'   
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))
BDBM62204
PNG
(MLS-0360688.0001 | N-[3-[4-(4-fluorophenyl)-1-pipe...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H28FN5O2/c27-20-8-10-21(11-9-20)30-17-15-29(16-18-30)13-4-12-28-25(33)19-32-23-6-2-1-5-22(23)31-14-3-7-24(31)26(32)34/h1-3,5-11,14H,4,12-13,15-19H2,(H,28,33)
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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))
BDBM62204
PNG
(MLS-0360688.0001 | N-[3-[4-(4-fluorophenyl)-1-pipe...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H28FN5O2/c27-20-8-10-21(11-9-20)30-17-15-29(16-18-30)13-4-12-28-25(33)19-32-23-6-2-1-5-22(23)31-14-3-7-24(31)26(32)34/h1-3,5-11,14H,4,12-13,15-19H2,(H,28,33)
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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))
BDBM62204
PNG
(MLS-0360688.0001 | N-[3-[4-(4-fluorophenyl)-1-pipe...)
Show SMILES Fc1ccc(cc1)N1CCN(CCCNC(=O)Cn2c3ccccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C26H28FN5O2/c27-20-8-10-21(11-9-20)30-17-15-29(16-18-30)13-4-12-28-25(33)19-32-23-6-2-1-5-22(23)31-14-3-7-24(31)26(32)34/h1-3,5-11,14H,4,12-13,15-19H2,(H,28,33)
PDB

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PC cid
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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