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PubChem AID 2493

Compile data set for download or QSAR
Found 16 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
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65818
PNG
(2-[4-(2-furanylmethyl)-5-[(4-methoxyphenyl)methylt...)
Show SMILES COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H18N4O2S/c1-25-16-9-7-15(8-10-16)14-27-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-26-17/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65828
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-[2-[(ph...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN(Cc1ccccc1)C(C)C
Show InChI InChI=1S/C28H35N3O3S/c1-4-23-12-16-27(17-13-23)35(33,34)30-20-24-10-14-26(15-11-24)28(32)29-18-19-31(22(2)3)21-25-8-6-5-7-9-25/h5-17,22,30H,4,18-21H2,1-3H3,(H,29,32)
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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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65831
PNG
(KSC-5-250B | KUC103907N | N-(2-isoindolin-2-ylethy...)
Show SMILES Cc1cc(C)c(c(C)c1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCN1Cc2ccccc2C1
Show InChI InChI=1S/C27H31N3O3S/c1-19-14-20(2)26(21(3)15-19)34(32,33)29-16-22-8-10-23(11-9-22)27(31)28-12-13-30-17-24-6-4-5-7-25(24)18-30/h4-11,14-15,29H,12-13,16-18H2,1-3H3,(H,28,31)
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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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65817
PNG
(2-[5-[(3,4-dichlorobenzyl)thio]-4-(2-furfuryl)-1,2...)
Show SMILES Clc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1Cl
Show InChI InChI=1S/C19H14Cl2N4OS/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65819
PNG
(2-[4-(2-furanylmethyl)-5-[(4-methylphenyl)methylth...)
Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
Show InChI InChI=1S/C20H18N4OS/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65824
PNG
(2-[5-(p-anisylthio)-4-(2-thenyl)-1,2,4-triazol-3-y...)
Show SMILES COc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C20H18N4OS2/c1-25-16-9-7-15(8-10-16)14-27-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-26-17/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65825
PNG
(2-[5-[(2,4-difluorobenzyl)thio]-4-(2-thenyl)-1,2,4...)
Show SMILES Fc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)c(F)c1
Show InChI InChI=1S/C19H14F2N4S2/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65830
PNG
(4-[[(4-methylphenyl)sulfonylamino]methyl]-N-[3-[(p...)
Show SMILES CC(C)N(CCCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(C)cc2)cc1)Cc1ccccc1
Show InChI InChI=1S/C28H35N3O3S/c1-22(2)31(21-25-8-5-4-6-9-25)19-7-18-29-28(32)26-14-12-24(13-15-26)20-30-35(33,34)27-16-10-23(3)11-17-27/h4-6,8-17,22,30H,7,18-21H2,1-3H3,(H,29,32)
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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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65820
PNG
(2-[4-(2-furanylmethyl)-5-(phenylmethylthio)-1,2,4-...)
Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccccc1
Show InChI InChI=1S/C19H16N4OS/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65829
PNG
(4-[[(4-ethylphenyl)sulfonylamino]methyl]-N-(2-phen...)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCCc1ccccc1
Show InChI InChI=1S/C24H26N2O3S/c1-2-19-10-14-23(15-11-19)30(28,29)26-18-21-8-12-22(13-9-21)24(27)25-17-16-20-6-4-3-5-7-20/h3-15,26H,2,16-18H2,1H3,(H,25,27)
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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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM54809
PNG
((2S)-3-(4-hydroxyphenyl)-2-[4-[3-[1-[(1S)-1-(1H-in...)
Show SMILES COC(=O)[C@H](Cc1c[nH]c2ccccc12)n1cc(nn1)-c1cc(cc(c1)-c1cn(nn1)[C@@H](Cc1ccc(O)cc1)C(O)=O)C(=O)N1CCNCC1
Show InChI InChI=1S/C36H35N9O6/c1-51-36(50)33(18-26-19-38-29-5-3-2-4-28(26)29)45-21-31(40-42-45)24-15-23(16-25(17-24)34(47)43-12-10-37-11-13-43)30-20-44(41-39-30)32(35(48)49)14-22-6-8-27(46)9-7-22/h2-9,15-17,19-21,32-33,37-38,46H,10-14,18H2,1H3,(H,48,49)/t32-,33-/m0/s1
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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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65821
PNG
(2-[5-(benzylthio)-4-(2-thenyl)-1,2,4-triazol-3-yl]...)
Show SMILES C(Sc1nnc(-c2ccccn2)n1Cc1cccs1)c1ccccc1
Show InChI InChI=1S/C19H16N4S2/c1-2-7-15(8-3-1)14-25-19-22-21-18(17-10-4-5-11-20-17)23(19)13-16-9-6-12-24-16/h1-12H,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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65822
PNG
(2-[5-[(4-methylbenzyl)thio]-4-(2-thenyl)-1,2,4-tri...)
Show SMILES Cc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C20H18N4S2/c1-15-7-9-16(10-8-15)14-26-20-23-22-19(18-6-2-3-11-21-18)24(20)13-17-5-4-12-25-17/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/Q2NP22WN
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (Human))		BDBM65823
PNG
(2-[5-[(4-bromobenzyl)thio]-4-(2-thenyl)-1,2,4-tria...)
Show SMILES Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1
Show InChI InChI=1S/C19H15BrN4S2/c20-15-8-6-14(7-9-15)13-26-19-23-22-18(17-5-1-2-10-21-17)24(19)12-16-4-3-11-25-16/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/Q2NP22WN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%