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PubChem AID 488822

Compile data set for download or QSAR
Found 34 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
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
Mu-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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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/Q23X854R
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%