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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 = 'BDBM75576'   
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))
BDBM75576
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[1-(ph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H31N3O3S/c1-21-9-15-26(16-10-21)34(32,33)28-18-22-11-13-24(14-12-22)27(31)29-25-8-5-17-30(20-25)19-23-6-3-2-4-7-23/h2-4,6-7,9-16,25,28H,5,8,17-20H2,1H3,(H,29,31)
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PC cid
PC sid
UniChem

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PCBioAssay
n/an/a 1.86E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Burnham Center for Chemical Genomics (BCCG) Source Affiliation: Burnham Institute for Medical Research (BIMR, La Jolla, CA) Network: NIH...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q29S1PHQ
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (Human))
BDBM75576
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[1-(ph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NC1CCCN(Cc2ccccc2)C1
Show InChI InChI=1S/C27H31N3O3S/c1-21-9-15-26(16-10-21)34(32,33)28-18-22-11-13-24(14-12-22)27(31)29-25-8-5-17-30(20-25)19-23-6-3-2-4-7-23/h2-4,6-7,9-16,25,28H,5,8,17-20H2,1H3,(H,29,31)
PDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

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 (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2028Q01
More data for this
Ligand-Target Pair