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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 = 'BDBM62206'   
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))
BDBM62206
PNG
(MLS-0360328.0001 | cid_22553459)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O2/c1-20-8-9-21(2)24(18-20)31-16-14-30(15-17-31)12-5-11-28-25(34)19-33-26-22(6-3-10-29-26)32-13-4-7-23(32)27(33)35/h3-4,6-10,13,18H,5,11-12,14-17,19H2,1-2H3,(H,28,34)
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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))
BDBM62206
PNG
(MLS-0360328.0001 | cid_22553459)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O2/c1-20-8-9-21(2)24(18-20)31-16-14-30(15-17-31)12-5-11-28-25(34)19-33-26-22(6-3-10-29-26)32-13-4-7-23(32)27(33)35/h3-4,6-10,13,18H,5,11-12,14-17,19H2,1-2H3,(H,28,34)
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PCBioAssay
n/an/a 2.05E+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))
BDBM62206
PNG
(MLS-0360328.0001 | cid_22553459)
Show SMILES Cc1ccc(C)c(c1)N1CCN(CCCNC(=O)Cn2c3ncccc3n3cccc3c2=O)CC1
Show InChI InChI=1S/C27H32N6O2/c1-20-8-9-21(2)24(18-20)31-16-14-30(15-17-31)12-5-11-28-25(34)19-33-26-22(6-3-10-29-26)32-13-4-7-23(32)27(33)35/h3-4,6-10,13,18H,5,11-12,14-17,19H2,1-2H3,(H,28,34)
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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