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PubChem AID 449737

Compile data set for download or QSAR
Found 66 hits of Enzyme Inhibition Constant Data   
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))
BDBM75378
PNG
(2-[4-(2-furanylmethyl)-5-[(4-propan-2-ylphenyl)met...)
Show SMILES CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C22H22N4OS/c1-16(2)18-10-8-17(9-11-18)15-28-22-25-24-21(20-7-3-4-12-23-20)26(22)14-19-6-5-13-27-19/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 5.97E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75379
PNG
(2-[4-(2-furanylmethyl)-5-[(2-methylphenyl)methylth...)
Show SMILES Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C20H18N4OS/c1-15-7-2-3-8-16(15)14-26-20-23-22-19(18-10-4-5-11-21-18)24(20)13-17-9-6-12-25-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 1.77E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75386
PNG
(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4OS/c21-14-7-6-13(16(10-14)20(22,23)24)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-15-4-3-9-29-15/h1-10H,11-12H2
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n/an/an/an/a 8.27E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75388
PNG
(2-[5-[(4-nitrobenzyl)thio]-4-(2-thenyl)-1,2,4-tria...)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C19H15N5O2S2/c25-24(26)15-8-6-14(7-9-15)13-28-19-22-21-18(17-5-1-2-10-20-17)23(19)12-16-4-3-11-27-16/h1-11H,12-13H2
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n/an/an/an/a 1.24E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75395
PNG
(2-[5-(m-anisylthio)-4-(2-thenyl)-1,2,4-triazol-3-y...)
Show SMILES COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
Show InChI InChI=1S/C20H18N4OS2/c1-25-16-7-4-6-15(12-16)14-27-20-23-22-19(18-9-2-3-10-21-18)24(20)13-17-8-5-11-26-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 8.72E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75396
PNG
(2-[5-[(2-methyl-3-nitro-benzyl)thio]-4-(2-thenyl)-...)
Show SMILES Cc1c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O2S2/c1-14-15(6-4-9-18(14)25(26)27)13-29-20-23-22-19(17-8-2-3-10-21-17)24(20)12-16-7-5-11-28-16/h2-11H,12-13H2,1H3
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n/an/an/an/a 5.82E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75398
PNG
(2-[5-[(2,6-difluorobenzyl)thio]-4-(2-thenyl)-1,2,4...)
Show SMILES Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1cccs1
Show InChI InChI=1S/C19H14F2N4S2/c20-15-6-3-7-16(21)14(15)12-27-19-24-23-18(17-8-1-2-9-22-17)25(19)11-13-5-4-10-26-13/h1-10H,11-12H2
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n/an/an/an/a 1.80E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75404
PNG
(1-[2-furanylmethyl-[oxo(2-pyridinyl)methyl]amino]-...)
Show SMILES CC(C)OC(=O)C1(CCCCC1)N(Cc1ccco1)C(=O)c1ccccn1
Show InChI InChI=1S/C21H26N2O4/c1-16(2)27-20(25)21(11-5-3-6-12-21)23(15-17-9-8-14-26-17)19(24)18-10-4-7-13-22-18/h4,7-10,13-14,16H,3,5-6,11-12,15H2,1-2H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75406
PNG
(KSC-10-18 | KUC104624N | N-butyl-N-[(6-chloranyl-2...)
Show SMILES CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C20H20ClN3O2/c1-2-3-10-24(20(26)18-6-4-5-9-22-18)13-15-11-14-12-16(21)7-8-17(14)23-19(15)25/h4-9,11-12H,2-3,10,13H2,1H3,(H,23,25)
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n/an/an/an/a 1.87E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75432
PNG
(4-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/c20-16-4-3-13(10-17(16)21)12-27-19-24-23-18(14-5-7-22-8-6-14)25(19)11-15-2-1-9-26-15/h1-10H,11-12H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75373
PNG
(2-[4-(2-furanylmethyl)-5-[(4-nitrophenyl)methylthi...)
Show SMILES [O-][N+](=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15N5O3S/c25-24(26)15-8-6-14(7-9-15)13-28-19-22-21-18(17-5-1-2-10-20-17)23(19)12-16-4-3-11-27-16/h1-11H,12-13H2
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n/an/an/an/a 2.48E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75374
PNG
(4-[[4-(furan-2-ylmethyl)-5-pyridin-2-yl-1,2,4-tria...)
Show SMILES N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H15N5OS/c21-12-15-6-8-16(9-7-15)14-27-20-24-23-19(18-5-1-2-10-22-18)25(20)13-17-4-3-11-26-17/h1-11H,13-14H2
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n/an/an/an/a 6.79E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75381
PNG
(2-[4-(2-furanylmethyl)-5-[(2-methyl-3-nitrophenyl)...)
Show SMILES Cc1c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cccc1[N+]([O-])=O
Show InChI InChI=1S/C20H17N5O3S/c1-14-15(6-4-9-18(14)25(26)27)13-29-20-23-22-19(17-8-2-3-10-21-17)24(20)12-16-7-5-11-28-16/h2-11H,12-13H2,1H3
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n/an/an/an/a 8.21E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75383
PNG
(2-[5-[(2,6-difluorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Fc1cccc(F)c1CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C19H14F2N4OS/c20-15-6-3-7-16(21)14(15)12-27-19-24-23-18(17-8-1-2-9-22-17)25(19)11-13-5-4-10-26-13/h1-10H,11-12H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75384
PNG
(2-[4-(2-furanylmethyl)-5-[(2,3,4-trifluorophenyl)m...)
Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(F)c1F
Show InChI InChI=1S/C19H13F3N4OS/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2
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n/an/an/an/a 7.01E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM62180
PNG
(2-[5-[(2-chlorobenzyl)thio]-4-(2-furfuryl)-1,2,4-t...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1ccco1
Show InChI InChI=1S/C19H15ClN4OS/c20-16-8-2-1-6-14(16)13-26-19-23-22-18(17-9-3-4-10-21-17)24(19)12-15-7-5-11-25-15/h1-11H,12-13H2
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n/an/an/an/a 9.07E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75397
PNG
(2-[5-[(3,5-difluorobenzyl)thio]-4-(2-thenyl)-1,2,4...)
Show SMILES Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c1
Show InChI InChI=1S/C19H14F2N4S2/c20-14-8-13(9-15(21)10-14)12-27-19-24-23-18(17-5-1-2-6-22-17)25(19)11-16-4-3-7-26-16/h1-10H,11-12H2
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n/an/an/an/a 7.20E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75427
PNG
(3-(4-bromophenyl)-5-[[4-chloranyl-3-(trifluorometh...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)ccc1Cl
Show InChI InChI=1S/C21H14BrClF3N3OS/c22-15-6-4-14(5-7-15)19-27-28-20(29(19)11-16-2-1-9-30-16)31-12-13-3-8-18(23)17(10-13)21(24,25)26/h1-10H,11-12H2
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n/an/an/an/a 1.10E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75428
PNG
(2-[4-(2-chlorobenzyl)-5-[(3,4-dichlorobenzyl)thio]...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)cc1Cl
Show InChI InChI=1S/C21H15Cl3N4S/c22-16-6-2-1-5-15(16)12-28-20(19-7-3-4-10-25-19)26-27-21(28)29-13-14-8-9-17(23)18(24)11-14/h1-11H,12-13H2
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n/an/an/an/a 1.18E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75433
PNG
(3-(4-bromophenyl)-5-[(3,4-dichlorobenzyl)thio]-4-(...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C20H14BrCl2N3OS/c21-15-6-4-14(5-7-15)19-24-25-20(26(19)11-16-2-1-9-27-16)28-12-13-3-8-17(22)18(23)10-13/h1-10H,11-12H2
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n/an/an/an/a 8.00E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM65827
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-thenyl)-1,2,4...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4S2/c20-15-7-6-13(10-16(15)21)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-14-4-3-9-26-14/h1-10H,11-12H2
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n/an/an/an/a 454n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75385
PNG
(2-[4-(2-furanylmethyl)-5-[(2,4,6-trimethylphenyl)m...)
Show SMILES Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c(C)c1
Show InChI InChI=1S/C22H22N4OS/c1-15-11-16(2)19(17(3)12-15)14-28-22-25-24-21(20-8-4-5-9-23-20)26(22)13-18-7-6-10-27-18/h4-12H,13-14H2,1-3H3
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n/an/an/an/a 1.50E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75400
PNG
(2-[4-(2-thenyl)-5-[(2,4,6-trimethylbenzyl)thio]-1,...)
Show SMILES Cc1cc(C)c(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(C)c1
Show InChI InChI=1S/C22H22N4S2/c1-15-11-16(2)19(17(3)12-15)14-28-22-25-24-21(20-8-4-5-9-23-20)26(22)13-18-7-6-10-27-18/h4-12H,13-14H2,1-3H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM54788
PNG
(MLS000778656 | N-butyl-N-[(2-keto-6-methyl-1H-quin...)
Show SMILES CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C21H23N3O2/c1-3-4-11-24(21(26)19-7-5-6-10-22-19)14-17-13-16-12-15(2)8-9-18(16)23-20(17)25/h5-10,12-13H,3-4,11,14H2,1-2H3,(H,23,25)
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n/an/an/an/a 8.38E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75410
PNG
(KSC-10-207 | KUC105572N | N-[(6-chloranyl-2-oxidan...)
Show SMILES Clc1ccc2[nH]c(=O)c(CN(CC3CC3)C(=O)c3ccccn3)cc2c1
Show InChI InChI=1S/C20H18ClN3O2/c21-16-6-7-17-14(10-16)9-15(19(25)23-17)12-24(11-13-4-5-13)20(26)18-3-1-2-8-22-18/h1-3,6-10,13H,4-5,11-12H2,(H,23,25)
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75415
PNG
(4-[4-(2-furanylmethyl)-5-(phenylmethylthio)-1,2,4-...)
Show SMILES C(Sc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccccc1
Show InChI InChI=1S/C19H16N4OS/c1-2-5-15(6-3-1)14-25-19-22-21-18(16-8-10-20-11-9-16)23(19)13-17-7-4-12-24-17/h1-12H,13-14H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75423
PNG
(2-[5-[[4-chloranyl-3-(trifluoromethyl)phenyl]methy...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(Cl)c(c3)C(F)(F)F)nnc2-c2ccccn2)cc1
Show InChI InChI=1S/C23H18ClF3N4OS/c1-32-17-8-5-15(6-9-17)13-31-21(20-4-2-3-11-28-20)29-30-22(31)33-14-16-7-10-19(24)18(12-16)23(25,26)27/h2-12H,13-14H2,1H3
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n/an/an/an/a 1.88E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75424
PNG
(2-[4-benzyl-5-[[4-chloro-3-(trifluoromethyl)benzyl...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)ccc1Cl
Show InChI InChI=1S/C22H16ClF3N4S/c23-18-10-9-16(12-17(18)22(24,25)26)14-31-21-29-28-20(19-8-4-5-11-27-19)30(21)13-15-6-2-1-3-7-15/h1-12H,13-14H2
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n/an/an/an/a 2.22E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75376
PNG
(4-[[[4-(2-furanylmethyl)-5-(2-pyridinyl)-1,2,4-tri...)
Show SMILES COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C21H18N4O3S/c1-27-20(26)16-9-7-15(8-10-16)14-29-21-24-23-19(18-6-2-3-11-22-18)25(21)13-17-5-4-12-28-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 6.62E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75382
PNG
(2-[5-[(3,5-difluorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Fc1cc(F)cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Show InChI InChI=1S/C19H14F2N4OS/c20-14-8-13(9-15(21)10-14)12-27-19-24-23-18(17-5-1-2-6-22-17)25(19)11-16-4-3-7-26-16/h1-10H,11-12H2
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n/an/an/an/a 7.89E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75387
PNG
(2-[5-[[4-chloranyl-3-(trifluoromethyl)phenyl]methy...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)ccc1Cl
Show InChI InChI=1S/C20H14ClF3N4OS/c21-16-7-6-13(10-15(16)20(22,23)24)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-14-4-3-9-29-14/h1-10H,11-12H2
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n/an/an/an/a 504n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75391
PNG
(4-[[[5-(2-pyridinyl)-4-(thiophen-2-ylmethyl)-1,2,4...)
Show SMILES COC(=O)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C21H18N4O2S2/c1-27-20(26)16-9-7-15(8-10-16)14-29-21-24-23-19(18-6-2-3-11-22-18)25(21)13-17-5-4-12-28-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 6.14E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75402
PNG
(2-[5-[[4-chloranyl-3-(trifluoromethyl)phenyl]methy...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)ccc1Cl
Show InChI InChI=1S/C20H14ClF3N4S2/c21-16-7-6-13(10-15(16)20(22,23)24)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-14-4-3-9-29-14/h1-10H,11-12H2
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n/an/an/an/a 432n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75411
PNG
(2-[4-[(2-chlorophenyl)methyl]-5-(phenylmethylsulfa...)
Show SMILES Clc1ccccc1Cn1c(SCc2ccccc2)nnc1-c1ccccn1
Show InChI InChI=1S/C21H17ClN4S/c22-18-11-5-4-10-17(18)14-26-20(19-12-6-7-13-23-19)24-25-21(26)27-15-16-8-2-1-3-9-16/h1-13H,14-15H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75413
PNG
(2-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)py...)
Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N4S/c1-3-9-17(10-4-1)15-25-20(19-13-7-8-14-22-19)23-24-21(25)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75414
PNG
(2-[5-(benzylthio)-4-(3-pyridylmethyl)-1,2,4-triazo...)
Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C20H17N5S/c1-2-7-16(8-3-1)15-26-20-24-23-19(18-10-4-5-12-22-18)25(20)14-17-9-6-11-21-13-17/h1-13H,14-15H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75426
PNG
(4-[5-[[4-chloranyl-3-(trifluoromethyl)phenyl]methy...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)ccc1Cl
Show InChI InChI=1S/C20H14ClF3N4OS/c21-17-4-3-13(10-16(17)20(22,23)24)12-30-19-27-26-18(14-5-7-25-8-6-14)28(19)11-15-2-1-9-29-15/h1-10H,11-12H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75430
PNG
(2-[4-benzyl-5-[(3,4-dichlorobenzyl)thio]-1,2,4-tri...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1Cl
Show InChI InChI=1S/C21H16Cl2N4S/c22-17-10-9-16(12-18(17)23)14-28-21-26-25-20(19-8-4-5-11-24-19)27(21)13-15-6-2-1-3-7-15/h1-12H,13-14H2
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n/an/an/an/a 1.24E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75434
PNG
(2-[5-[(4-bromobenzyl)thio]-4-p-anisyl-1,2,4-triazo...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)cc1
Show InChI InChI=1S/C22H19BrN4OS/c1-28-19-11-7-16(8-12-19)14-27-21(20-4-2-3-13-24-20)25-26-22(27)29-15-17-5-9-18(23)10-6-17/h2-13H,14-15H2,1H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM65826
PNG
(2-[5-[(2,4-dichlorobenzyl)thio]-4-(2-thenyl)-1,2,4...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(Cl)c1
Show InChI InChI=1S/C19H14Cl2N4S2/c20-14-7-6-13(16(21)10-14)12-27-19-24-23-18(17-5-1-2-8-22-17)25(19)11-15-4-3-9-26-15/h1-10H,11-12H2
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n/an/an/an/a 1.38E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75375
PNG
(2-[4-(2-furanylmethyl)-5-[[4-(trifluoromethyl)phen...)
Show SMILES FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H15F3N4OS/c21-20(22,23)15-8-6-14(7-9-15)13-29-19-26-25-18(17-5-1-2-10-24-17)27(19)12-16-4-3-11-28-16/h1-11H,12-13H2
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n/an/an/an/a 2.77E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75380
PNG
(2-[4-(2-furanylmethyl)-5-[(3-methoxyphenyl)methylt...)
Show SMILES COc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
Show InChI InChI=1S/C20H18N4O2S/c1-25-16-7-4-6-15(12-16)14-27-20-23-22-19(18-9-2-3-10-21-18)24(20)13-17-8-5-11-26-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 1.53E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75390
PNG
(2-[4-(2-thenyl)-5-[[4-(trifluoromethyl)benzyl]thio...)
Show SMILES FC(F)(F)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C20H15F3N4S2/c21-20(22,23)15-8-6-14(7-9-15)13-29-19-26-25-18(17-5-1-2-10-24-17)27(19)12-16-4-3-11-28-16/h1-11H,12-13H2
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n/an/an/an/a 1.23E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75392
PNG
(KSC-5-289E5 | KUC104196N | [4-[[5-pyridin-2-yl-4-(...)
Show SMILES CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C21H18N4O2S2/c1-15(26)27-17-9-7-16(8-10-17)14-29-21-24-23-20(19-6-2-3-11-22-19)25(21)13-18-5-4-12-28-18/h2-12H,13-14H2,1H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75401
PNG
(2-[5-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methy...)
Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(c1)C(F)(F)F
Show InChI InChI=1S/C20H14F4N4S2/c21-14-7-6-13(16(10-14)20(22,23)24)12-30-19-27-26-18(17-5-1-2-8-25-17)28(19)11-15-4-3-9-29-15/h1-10H,11-12H2
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n/an/an/an/a 4.46E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75409
PNG
(KSC-10-206 | KUC105571N | N-butyl-N-[(6-chloranyl-...)
Show SMILES CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1cccs1
Show InChI InChI=1S/C19H19ClN2O2S/c1-2-3-8-22(19(24)17-5-4-9-25-17)12-14-10-13-11-15(20)6-7-16(13)21-18(14)23/h4-7,9-11H,2-3,8,12H2,1H3,(H,21,23)
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75419
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(3-pyridylmethyl)-1,2...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1
Show InChI InChI=1S/C20H16BrN5S/c21-17-8-6-15(7-9-17)14-27-20-25-24-19(18-5-1-2-11-23-18)26(20)13-16-4-3-10-22-12-16/h1-12H,13-14H2
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n/an/an/an/a 8.51E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75422
PNG
(2-[4-(2-chlorobenzyl)-5-[[4-chloro-3-(trifluoromet...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2Cl)ccc1Cl
Show InChI InChI=1S/C22H15Cl2F3N4S/c23-17-6-2-1-5-15(17)12-31-20(19-7-3-4-10-28-19)29-30-21(31)32-13-14-8-9-18(24)16(11-14)22(25,26)27/h1-11H,12-13H2
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n/an/an/an/a 4.30E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75425
PNG
(2-[5-[[4-chloranyl-3-(trifluoromethyl)phenyl]methy...)
Show SMILES FC(F)(F)c1cc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)ccc1Cl
Show InChI InChI=1S/C21H15ClF3N5S/c22-17-7-6-14(10-16(17)21(23,24)25)13-31-20-29-28-19(18-5-1-2-9-27-18)30(20)12-15-4-3-8-26-11-15/h1-11H,12-13H2
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n/an/an/an/a 501n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75393
PNG
(2-[5-[(4-isopropylbenzyl)thio]-4-(2-thenyl)-1,2,4-...)
Show SMILES CC(C)c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C22H22N4S2/c1-16(2)18-10-8-17(9-11-18)15-28-22-25-24-21(20-7-3-4-12-23-20)26(22)14-19-6-5-13-27-19/h3-13,16H,14-15H2,1-2H3
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n/an/an/an/a 3.66E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75399
PNG
(2-[4-(2-thenyl)-5-[(2,3,4-trifluorobenzyl)thio]-1,...)
Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1F
Show InChI InChI=1S/C19H13F3N4S2/c20-14-7-6-12(16(21)17(14)22)11-28-19-25-24-18(15-5-1-2-8-23-15)26(19)10-13-4-3-9-27-13/h1-9H,10-11H2
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n/an/an/an/a 3.04E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75405
PNG
(KSC-10-17 | KUC104623N | N-(3-methylbutyl)-N-[(6-m...)
Show SMILES CC(C)CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
Show InChI InChI=1S/C22H25N3O2/c1-15(2)9-11-25(22(27)20-6-4-5-10-23-20)14-18-13-17-12-16(3)7-8-19(17)24-21(18)26/h4-8,10,12-13,15H,9,11,14H2,1-3H3,(H,24,26)
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n/an/an/an/a 1.31E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75407
PNG
(KSC-10-30 | KUC104626N | N-[(6-methyl-2-oxidanylid...)
Show SMILES Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccn3)cc2c1
Show InChI InChI=1S/C24H21N3O2/c1-17-10-11-21-19(13-17)14-20(23(28)26-21)16-27(15-18-7-3-2-4-8-18)24(29)22-9-5-6-12-25-22/h2-14H,15-16H2,1H3,(H,26,28)
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n/an/an/an/a 9.25E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75416
PNG
(3-(4-bromophenyl)-4-(2-furanylmethyl)-5-(phenylmet...)
Show SMILES Brc1ccc(cc1)-c1nnc(SCc2ccccc2)n1Cc1ccco1
Show InChI InChI=1S/C20H16BrN3OS/c21-17-10-8-16(9-11-17)19-22-23-20(24(19)13-18-7-4-12-25-18)26-14-15-5-2-1-3-6-15/h1-12H,13-14H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75420
PNG
(4-[5-[(4-bromobenzyl)thio]-4-(2-furfuryl)-1,2,4-tr...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C19H15BrN4OS/c20-16-5-3-14(4-6-16)13-26-19-23-22-18(15-7-9-21-10-8-15)24(19)12-17-2-1-11-25-17/h1-11H,12-13H2
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75377
PNG
(KSC-5-287A5 | KUC104180N | [4-[[4-(furan-2-ylmethy...)
Show SMILES CC(=O)Oc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C21H18N4O3S/c1-15(26)28-17-9-7-16(8-10-17)14-29-21-24-23-20(19-6-2-3-11-22-19)25(21)13-18-5-4-12-27-18/h2-12H,13-14H2,1H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75412
PNG
(2-[4-[(4-methoxyphenyl)methyl]-5-(phenylmethylsulf...)
Show SMILES COc1ccc(Cn2c(SCc3ccccc3)nnc2-c2ccccn2)cc1
Show InChI InChI=1S/C22H20N4OS/c1-27-19-12-10-17(11-13-19)15-26-21(20-9-5-6-14-23-20)24-25-22(26)28-16-18-7-3-2-4-8-18/h2-14H,15-16H2,1H3
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75417
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-chlorobenzyl)-1,2,...)
Show SMILES Clc1ccccc1Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccccn1
Show InChI InChI=1S/C21H16BrClN4S/c22-17-10-8-15(9-11-17)14-28-21-26-25-20(19-7-3-4-12-24-19)27(21)13-16-5-1-2-6-18(16)23/h1-12H,13-14H2
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n/an/an/an/a 1.42E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75421
PNG
(3-(4-bromophenyl)-5-[(4-bromophenyl)methylsulfanyl...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H15Br2N3OS/c21-16-7-3-14(4-8-16)13-27-20-24-23-19(15-5-9-17(22)10-6-15)25(20)12-18-2-1-11-26-18/h1-11H,12-13H2
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n/an/an/an/a 1.13E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75431
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(3-pyridylmethyl...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccnc2)cc1Cl
Show InChI InChI=1S/C20H15Cl2N5S/c21-16-7-6-14(10-17(16)22)13-28-20-26-25-19(18-5-1-2-9-24-18)27(20)12-15-4-3-8-23-11-15/h1-11H,12-13H2
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n/an/an/an/a 756n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75389
PNG
(4-[[5-pyridin-2-yl-4-(thiophen-2-ylmethyl)-1,2,4-t...)
Show SMILES N#Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C20H15N5S2/c21-12-15-6-8-16(9-7-15)14-27-20-24-23-19(18-5-1-2-10-22-18)25(20)13-17-4-3-11-26-17/h1-11H,13-14H2
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n/an/an/an/a 4.64E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75394
PNG
(2-[5-[(2-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...)
Show SMILES Cc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
Show InChI InChI=1S/C20H18N4S2/c1-15-7-2-3-8-16(15)14-26-20-23-22-19(18-10-4-5-11-21-18)24(20)13-17-9-6-12-25-17/h2-12H,13-14H2,1H3
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n/an/an/an/a 1.47E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75403
PNG
(2-[5-[(2-chlorobenzyl)thio]-4-(2-thenyl)-1,2,4-tri...)
Show SMILES Clc1ccccc1CSc1nnc(-c2ccccn2)n1Cc1cccs1
Show InChI InChI=1S/C19H15ClN4S2/c20-16-8-2-1-6-14(16)13-26-19-23-22-18(17-9-3-4-10-21-17)24(19)12-15-7-5-11-25-15/h1-11H,12-13H2
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n/an/an/an/a 1.01E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75408
PNG
(KSC-10-205 | KUC105570N | N-butyl-N-[(6-chloranyl-...)
Show SMILES CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccc1
Show InChI InChI=1S/C21H21ClN2O2/c1-2-3-11-24(21(26)15-7-5-4-6-8-15)14-17-12-16-13-18(22)9-10-19(16)23-20(17)25/h4-10,12-13H,2-3,11,14H2,1H3,(H,23,25)
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n/an/an/an/a>2.00E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75418
PNG
(2-[4-benzyl-5-[(4-bromobenzyl)thio]-1,2,4-triazol-...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccccc2)cc1
Show InChI InChI=1S/C21H17BrN4S/c22-18-11-9-17(10-12-18)15-27-21-25-24-20(19-8-4-5-13-23-19)26(21)14-16-6-2-1-3-7-16/h1-13H,14-15H2
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n/an/an/an/a 4.06E+3n/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/Q2707ZWP
More data for this
Ligand-Target Pair
Kappa-type opioid receptor


(Homo sapiens (human))
BDBM75429
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-p-anisyl-1,2,4-t...)
Show SMILES COc1ccc(Cn2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccn2)cc1
Show InChI InChI=1S/C22H18Cl2N4OS/c1-29-17-8-5-15(6-9-17)13-28-21(20-4-2-3-11-25-20)26-27-22(28)30-14-16-7-10-18(23)19(24)12-16/h2-12H,13-14H2,1H3
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n/an/an/an/a 1.74E+4n/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/Q2707ZWP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%