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PubChem AID 588411

Compile Data Set for Download or QSAR

Found 229 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))
BDBM67709
PNG
(4-(2-Aza-spiro[5.5]undecane-2-sulfonyl)-N-cyclopro...)
Show SMILES O=S(=O)(NC1CC1)c1ccc(cc1)S(=O)(=O)N1CCCC2(CCCCC2)C1
Show InChI InChI=1S/C19H28N2O4S2/c22-26(23,20-16-5-6-16)17-7-9-18(10-8-17)27(24,25)21-14-4-13-19(15-21)11-2-1-3-12-19/h7-10,16,20H,1-6,11-15H2
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM32051
PNG
(3-chloro-N-(1,1-diketothiolan-3-yl)-N-(2-furfuryl)...)
Show SMILES Clc1c(sc2ccccc12)C(=O)N(Cc1ccco1)C1CCS(=O)(=O)C1
Show InChI InChI=1S/C18H16ClNO4S2/c19-16-14-5-1-2-6-15(14)25-17(16)18(21)20(10-13-4-3-8-24-13)12-7-9-26(22,23)11-12/h1-6,8,12H,7,9-11H2
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n/an/an/an/a 2.92E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83301
PNG
(4-(cyclohexylamino)-3-(4-morpholinylsulfonyl)-N-ph...)
Show SMILES O=C(Nc1ccccc1)c1ccc(NC2CCCCC2)c(c1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H29N3O4S/c27-23(25-20-9-5-2-6-10-20)18-11-12-21(24-19-7-3-1-4-8-19)22(17-18)31(28,29)26-13-15-30-16-14-26/h2,5-6,9-12,17,19,24H,1,3-4,7-8,13-16H2,(H,25,27)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83308
PNG
(2-amino-1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiop...)
Show SMILES COc1ccc(cc1)C1C(C#N)C(=N)N(c2sc3CCCCc3c2C#N)C2=C1C(=O)CC(C)(C)C2
Show InChI InChI=1S/C28H28N4O2S/c1-28(2)12-21-25(22(33)13-28)24(16-8-10-17(34-3)11-9-16)20(15-30)26(31)32(21)27-19(14-29)18-6-4-5-7-23(18)35-27/h8-11,20,24,31H,4-7,12-13H2,1-3H3
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n/an/an/an/a 1.16E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83312
PNG
(4-Chloro-N-[2-(1H-indol-3-yl)-ethyl]-N-(8-methyl-8...)
Show SMILES CN1C2CCC1C=C(C2)N(CCc1c[nH]c2ccccc12)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClN3O/c1-28-20-10-11-21(28)15-22(14-20)29(25(30)17-6-8-19(26)9-7-17)13-12-18-16-27-24-5-3-2-4-23(18)24/h2-9,14,16,20-21,27H,10-13,15H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83313
PNG
(2-(4-acetamido-N-[2-(1H-indol-3-yl)-1-oxoethyl]ani...)
Show SMILES COc1ccc(cc1OC)C(N(C(=O)Cc1c[nH]c2ccccc12)c1ccc(NC(C)=O)cc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C34H38N4O5/c1-22(39)36-26-14-16-27(17-15-26)38(32(40)20-24-21-35-29-12-8-7-11-28(24)29)33(34(41)37-25-9-5-4-6-10-25)23-13-18-30(42-2)31(19-23)43-3/h7-8,11-19,21,25,33,35H,4-6,9-10,20H2,1-3H3,(H,36,39)(H,37,41)
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM63174
PNG
((4Z)-4-[[1-(4-hydroxyphenyl)-2,5-dimethyl-3-pyrrol...)
Show SMILES Cc1cc(\C=C2\C(=O)NN(C2=O)c2ccccc2)c(C)n1-c1ccc(O)cc1
Show InChI InChI=1S/C22H19N3O3/c1-14-12-16(15(2)24(14)17-8-10-19(26)11-9-17)13-20-21(27)23-25(22(20)28)18-6-4-3-5-7-18/h3-13,26H,1-2H3,(H,23,27)/b20-13-
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n/an/an/an/a 9.30E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83318
PNG
(3-(4-Fluoro-phenyl)-2-[4-methoxy-3-(pyridin-2-ylsu...)
Show SMILES COc1ccc(cc1CSc1ccccn1)C1Nc2ccccc2C(=O)N1c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN3O2S/c1-33-24-14-9-18(16-19(24)17-34-25-8-4-5-15-29-25)26-30-23-7-3-2-6-22(23)27(32)31(26)21-12-10-20(28)11-13-21/h2-16,26,30H,17H2,1H3
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n/an/an/an/a>3.08E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83319
PNG
(1-[2-(dimethylamino)-2-(3-pyridinyl)ethyl]-3-(3-me...)
Show SMILES CN(C)C(CNC(=S)Nc1cccc(C)c1)c1cccnc1
Show InChI InChI=1S/C17H22N4S/c1-13-6-4-8-15(10-13)20-17(22)19-12-16(21(2)3)14-7-5-9-18-11-14/h4-11,16H,12H2,1-3H3,(H2,19,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM68066
PNG
(1-(4-fluorophenyl)-N-[2-hydroxy-5-[(4-methoxypheny...)
Show SMILES COc1ccc(NS(=O)(=O)c2ccc(O)c(NC(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)c2)cc1
Show InChI InChI=1S/C26H21FN4O5S2/c1-15-21-14-24(37-26(21)31(29-15)18-7-3-16(27)4-8-18)25(33)28-22-13-20(11-12-23(22)32)38(34,35)30-17-5-9-19(36-2)10-6-17/h3-14,30,32H,1-2H3,(H,28,33)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83335
PNG
(4-(2-phenoxyethyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]...)
Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1
Show InChI InChI=1S/C26H31N3O3/c1-2-31-25(30)26(14-19-32-24-10-4-3-5-11-24)12-17-28(18-13-26)21-23-9-7-16-29(23)22-8-6-15-27-20-22/h3-11,15-16,20H,2,12-14,17-19,21H2,1H3
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83337
PNG
(1-(1,5-dimethyl-1H-pyrazol-4-yl)-N-{[3-(4-fluoroph...)
Show SMILES CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1C
Show InChI InChI=1S/C24H26FN5/c1-16-5-11-22(12-6-16)30-15-20(24(28-30)19-7-9-21(25)10-8-19)13-26-17(2)23-14-27-29(4)18(23)3/h5-12,14-15,17,26H,13H2,1-4H3
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n/an/an/an/a 5.00E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83362
PNG
(MLS000733767 | N-[[3-(4-fluorophenyl)-1-(4-methylp...)
Show SMILES CC(NCc1cn(nc1-c1ccc(F)cc1)-c1ccc(C)cc1)c1cnn(C)c1
Show InChI InChI=1S/C23H24FN5/c1-16-4-10-22(11-5-16)29-15-20(12-25-17(2)19-13-26-28(3)14-19)23(27-29)18-6-8-21(24)9-7-18/h4-11,13-15,17,25H,12H2,1-3H3
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n/an/an/an/a 3.73E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83365
PNG
(4-chloranyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-e...)
Show SMILES CN1C2CCC1C=C(C2)N(CCc1ccccc1)C(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H25ClN2O/c1-25-20-11-12-21(25)16-22(15-20)26(14-13-17-5-3-2-4-6-17)23(27)18-7-9-19(24)10-8-18/h2-10,15,20-21H,11-14,16H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83378
PNG
(5-bromanyl-N-[2-(dimethylamino)-2-(4-methoxyphenyl...)
Show SMILES COc1ccc(cc1)C(CNC(=O)c1cncc(Br)c1)N(C)C
Show InChI InChI=1S/C17H20BrN3O2/c1-21(2)16(12-4-6-15(23-3)7-5-12)11-20-17(22)13-8-14(18)10-19-9-13/h4-10,16H,11H2,1-3H3,(H,20,22)
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n/an/an/an/a 2.69E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83388
PNG
(MLS001073997 | N-[4-[5-[3-(2-furfuryl)-4-keto-1,2-...)
Show SMILES COc1ccc(cc1COc1ccc(NC(C)=O)cc1)C1Nc2ccccc2C(=O)N1Cc1ccco1
Show InChI InChI=1S/C29H27N3O5/c1-19(33)30-22-10-12-23(13-11-22)37-18-21-16-20(9-14-27(21)35-2)28-31-26-8-4-3-7-25(26)29(34)32(28)17-24-6-5-15-36-24/h3-16,28,31H,17-18H2,1-2H3,(H,30,33)
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n/an/an/an/a 17.3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83390
PNG
(4-[5-carbomethoxy-2-keto-4-methyl-6-(2-nosyloxyphe...)
Show SMILES COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O10S/c1-14-20(22(29)35-2)21(24-23(30)25(14)13-5-8-19(27)28)17-6-3-4-7-18(17)36-37(33,34)16-11-9-15(10-12-16)26(31)32/h3-4,6-7,9-12,21H,5,8,13H2,1-2H3,(H,24,30)(H,27,28)
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n/an/an/an/a 1.17E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83391
PNG
((1S,4aS,8aS)-7-[2-(1H-indol-3-yl)ethyl]-1-methyl-1...)
Show SMILES COC(=O)C1=CO[C@@H](C)[C@@H]2CN(CCc3c[nH]c4ccccc34)CC[C@H]12
Show InChI InChI=1S/C21H26N2O3/c1-14-18-12-23(10-8-17(18)19(13-26-14)21(24)25-2)9-7-15-11-22-20-6-4-3-5-16(15)20/h3-6,11,13-14,17-18,22H,7-10,12H2,1-2H3/t14-,17-,18-/m0/s1
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n/an/an/an/a>9.24E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83395
PNG
(6,8,9-trimethyl-11H-indolo[3,2-c]quinoline | MLS00...)
Show SMILES Cc1cc2[nH]c3c(c(C)nc4ccccc34)c2cc1C
Show InChI InChI=1S/C18H16N2/c1-10-8-14-16(9-11(10)2)20-18-13-6-4-5-7-15(13)19-12(3)17(14)18/h4-9,20H,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83397
PNG
(2-(2,4-dimethoxy-3-methyl-benzyl)-1,3,4,9-tetrahyd...)
Show SMILES COc1ccc(CN2CCc3c(C2)[nH]c2ccccc32)c(OC)c1C
Show InChI InChI=1S/C21H24N2O2/c1-14-20(24-2)9-8-15(21(14)25-3)12-23-11-10-17-16-6-4-5-7-18(16)22-19(17)13-23/h4-9,22H,10-13H2,1-3H3
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n/an/an/an/a 7.43E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM78424
PNG
(MLS001239250 | N-(4,6-difluoro-1,3-benzothiazol-2-...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2c(F)cc(F)cc2s1
Show InChI InChI=1S/C28H28F2N4O3S2/c1-32(2)13-5-14-34(28-31-26-24(30)16-22(29)17-25(26)38-28)27(35)20-8-10-23(11-9-20)39(36,37)33-15-12-19-6-3-4-7-21(19)18-33/h3-4,6-11,16-17H,5,12-15,18H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM66953
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(C)cc2s1
Show InChI InChI=1S/C29H32N4O3S2/c1-21-9-14-26-27(19-21)37-29(30-26)33(17-6-16-31(2)3)28(34)23-10-12-25(13-11-23)38(35,36)32-18-15-22-7-4-5-8-24(22)20-32/h4-5,7-14,19H,6,15-18,20H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83443
PNG
(MLS002425557 | N-[2-keto-3-methyl-1-(3-phenylpropy...)
Show SMILES CC1(CCN(CCCc2ccccc2)C1=O)NC(=O)CC(c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C35H36N2O2/c1-34(24-26-37(33(34)39)25-14-17-28-15-6-2-7-16-28)36-32(38)27-35(29-18-8-3-9-19-29,30-20-10-4-11-21-30)31-22-12-5-13-23-31/h2-13,15-16,18-23H,14,17,24-27H2,1H3,(H,36,38)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83445
PNG
(9H-fluoren-9-ylmethyl N-[(3R,6R,8Z,11S)-6-[2-[2-hy...)
Show SMILES OCCN(Cc1ccccc1)C(=O)C[C@H]1C\C=C/C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc23)C(=O)OC[C@@H](Cc2c[nH]c3ccccc23)NC1=O
Show InChI InChI=1S/C45H46N4O7/c50-23-22-49(27-30-12-2-1-3-13-30)42(51)25-31-14-4-10-21-41(44(53)55-28-33(47-43(31)52)24-32-26-46-40-20-11-9-15-34(32)40)48-45(54)56-29-39-37-18-7-5-16-35(37)36-17-6-8-19-38(36)39/h1-13,15-20,26,31,33,39,41,46,50H,14,21-25,27-29H2,(H,47,52)(H,48,54)/b10-4-/t31-,33-,41+/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83446
PNG
(1-pyrrolidinecarbodithioic acid [2-[[2-(dimethylam...)
Show SMILES CN(C)C(CNC(=O)CSC(=S)N1CCCC1)c1ccccc1
Show InChI InChI=1S/C17H25N3OS2/c1-19(2)15(14-8-4-3-5-9-14)12-18-16(21)13-23-17(22)20-10-6-7-11-20/h3-5,8-9,15H,6-7,10-13H2,1-2H3,(H,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83447
PNG
(4-(4-bromo-2,6-dichloro-phenyl)sulfonyl-N-cyclopro...)
Show SMILES Clc1cc(Br)cc(Cl)c1S(=O)(=O)N1CCN(CC1)C(=S)NC1CC1
Show InChI InChI=1S/C14H16BrCl2N3O2S2/c15-9-7-11(16)13(12(17)8-9)24(21,22)20-5-3-19(4-6-20)14(23)18-10-1-2-10/h7-8,10H,1-6H2,(H,18,23)
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n/an/an/an/a 1.19E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83451
PNG
((4R,4aS,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,...)
Show SMILES COc1ccc2C[C@H]3N(C)CC[C@@]45C(Oc1c24)C(=O)CC[C@@]35O
Show InChI InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16?,17+,18-/m1/s1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83452
PNG
((+)--alpha--Propoxyphene hydrochloride | MLS002320...)
Show SMILES CCC(=O)OC(Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1
Show InChI InChI=1S/C22H29NO2/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19/h6-15,18H,5,16-17H2,1-4H3/t18-,22?/m1/s1
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n/an/an/an/a 8.64E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83465
PNG
((17-acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,...)
Show SMILES CC(=O)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)SC(N)=N
Show InChI InChI=1S/C22H34N2OS/c1-13(25)17-6-7-18-16-5-4-14-12-15(26-20(23)24)8-10-21(14,2)19(16)9-11-22(17,18)3/h4,15-19H,5-12H2,1-3H3,(H3,23,24)
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n/an/an/an/a>1.03E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83286
PNG
(3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin...)
Show SMILES CN1CCN(CC1)C(c1nnnn1Cc1ccccc1)c1cc2cccc(C)c2[nH]c1=O
Show InChI InChI=1S/C24H27N7O/c1-17-7-6-10-19-15-20(24(32)25-21(17)19)22(30-13-11-29(2)12-14-30)23-26-27-28-31(23)16-18-8-4-3-5-9-18/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,32)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83289
PNG
(2-O-[3-cyano-3-(1,3-dihydrobenzimidazol-2-ylidene)...)
Show SMILES CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C#N)c2nc3ccccc3[nH]2)c1C
Show InChI InChI=1S/C21H20N4O5/c1-4-29-20(27)17-11(2)18(23-12(17)3)21(28)30-10-16(26)13(9-22)19-24-14-7-5-6-8-15(14)25-19/h5-8,13,23H,4,10H2,1-3H3,(H,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83307
PNG
(MLS000572038 | N-[2-(dimethylamino)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)CCOc1ccccc1)N(C)C
Show InChI InChI=1S/C20H26N2O3/c1-22(2)19(16-9-11-17(24-3)12-10-16)15-21-20(23)13-14-25-18-7-5-4-6-8-18/h4-12,19H,13-15H2,1-3H3,(H,21,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM56506
PNG
(4-[[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl...)
Show SMILES Oc1ccc(Oc2ccc3c(cc(nc3n2)C(F)(F)F)C(F)(F)F)cc1
Show InChI InChI=1S/C16H8F6N2O2/c17-15(18,19)11-7-12(16(20,21)22)23-14-10(11)5-6-13(24-14)26-9-3-1-8(25)2-4-9/h1-7,25H
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83350
PNG
(MLS000732278 | SMR000318086 | [1-[2-(2-furyl)benzy...)
Show SMILES OCC1(CC2CCCCO2)CCN(Cc2ccccc2-c2ccco2)CC1
Show InChI InChI=1S/C23H31NO3/c25-18-23(16-20-7-3-4-14-26-20)10-12-24(13-11-23)17-19-6-1-2-8-21(19)22-9-5-15-27-22/h1-2,5-6,8-9,15,20,25H,3-4,7,10-14,16-18H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83359
PNG
(4-(phenylmethyl)-1-[[1-(3-pyridinyl)-2-pyrrolyl]me...)
Show SMILES CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1
Show InChI InChI=1S/C25H29N3O2/c1-2-30-24(29)25(18-21-8-4-3-5-9-21)12-16-27(17-13-25)20-23-11-7-15-28(23)22-10-6-14-26-19-22/h3-11,14-15,19H,2,12-13,16-18,20H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83363
PNG
(3,5-dimethyl-N-(8-methyl-8-azabicyclo[3.2.1]oct-3-...)
Show SMILES CN1C2CCC1C=C(C2)N(CCc1ccccc1)C(=O)c1cc(C)cc(C)c1
Show InChI InChI=1S/C25H30N2O/c1-18-13-19(2)15-21(14-18)25(28)27(12-11-20-7-5-4-6-8-20)24-16-22-9-10-23(17-24)26(22)3/h4-8,13-16,22-23H,9-12,17H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83369
PNG
(1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(3-pyrid...)
Show SMILES CN(C)C(CNC(=S)Nc1cccc(Cl)c1)c1cccnc1
Show InChI InChI=1S/C16H19ClN4S/c1-21(2)15(12-5-4-8-18-10-12)11-19-16(22)20-14-7-3-6-13(17)9-14/h3-10,15H,11H2,1-2H3,(H2,19,20,22)
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n/an/an/an/a 2.05E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83376
PNG
((E)-3-(2-chloranylimidazo[1,2-a]pyridin-3-yl)-N-[2...)
Show SMILES COc1ccc(cc1)C(CNC(=O)\C=C\c1c(Cl)nc2ccccn12)N(C)C
Show InChI InChI=1S/C21H23ClN4O2/c1-25(2)18(15-7-9-16(28-3)10-8-15)14-23-20(27)12-11-17-21(22)24-19-6-4-5-13-26(17)19/h4-13,18H,14H2,1-3H3,(H,23,27)/b12-11+
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83380
PNG
(2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-N-[4-(d...)
Show SMILES CCn1c2ccccc2n(CC(=O)Nc2ccc(SC(F)F)cc2)c1=[NH2+]
Show InChI InChI=1S/C18H18F2N4OS/c1-2-23-14-5-3-4-6-15(14)24(18(23)21)11-16(25)22-12-7-9-13(10-8-12)26-17(19)20/h3-10,17,21H,2,11H2,1H3,(H,22,25)/p+1
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n/an/an/an/a 3.22E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM69373
PNG
(MLS000772470 | N-[2-(dimethylamino)-2-(2-furanyl)e...)
Show SMILES CN(C)C(CNC(=O)c1ccc2ccccc2c1)c1ccco1
Show InChI InChI=1S/C19H20N2O2/c1-21(2)17(18-8-5-11-23-18)13-20-19(22)16-10-9-14-6-3-4-7-15(14)12-16/h3-12,17H,13H2,1-2H3,(H,20,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83387
PNG
(1-(2-Methoxy-benzyl)-4-[3-methyl-1-(1-thiophen-2-y...)
Show SMILES COc1ccccc1CN1CCN(CC1)C(CC(C)C)c1nnnn1Cc1cccs1
Show InChI InChI=1S/C23H32N6OS/c1-18(2)15-21(23-24-25-26-29(23)17-20-8-6-14-31-20)28-12-10-27(11-13-28)16-19-7-4-5-9-22(19)30-3/h4-9,14,18,21H,10-13,15-17H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83389
PNG
(4-[5-carbomethoxy-2-keto-4-methyl-6-[2-(2-nitrophe...)
Show SMILES COC(=O)C1=C(C)N(CCCC(O)=O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccccc1[N+]([O-])=O
Show InChI InChI=1S/C23H23N3O10S/c1-14-20(22(29)35-2)21(24-23(30)25(14)13-7-12-19(27)28)15-8-3-5-10-17(15)36-37(33,34)18-11-6-4-9-16(18)26(31)32/h3-6,8-11,21H,7,12-13H2,1-2H3,(H,24,30)(H,27,28)
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n/an/an/an/a 1.55E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83393
PNG
(6-(4-morpholinyl)-4,4-diphenyl-3-hexanone | 6-morp...)
Show SMILES CCC(=O)C(CCN1CCOCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H27NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12H,2,13-18H2,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM51901
PNG
(1-Decyloxycarbonylmethyl-3-methyl-2-o-tolyloxymeth...)
Show SMILES CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc12
Show InChI InChI=1S/C28H39N2O3/c1-4-5-6-7-8-9-10-15-20-32-28(31)21-30-25-18-13-12-17-24(25)29(3)27(30)22-33-26-19-14-11-16-23(26)2/h11-14,16-19H,4-10,15,20-22H2,1-3H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83400
PNG
((2,4-Dimethoxy-3-methyl-benzyl)-[2-(1H-indol-3-yl)...)
Show SMILES COc1ccc(CNCCc2c[nH]c3ccccc23)c(OC)c1C
Show InChI InChI=1S/C20H24N2O2/c1-14-19(23-2)9-8-16(20(14)24-3)12-21-11-10-15-13-22-18-7-5-4-6-17(15)18/h4-9,13,21-22H,10-12H2,1-3H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83403
PNG
(MLS001172165 | N-[2-(dimethylamino)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)CSc1ccccc1C)N(C)C
Show InChI InChI=1S/C20H26N2O2S/c1-15-7-5-6-8-19(15)25-14-20(23)21-13-18(22(2)3)16-9-11-17(24-4)12-10-16/h5-12,18H,13-14H2,1-4H3,(H,21,23)
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n/an/an/an/a>9.25E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83410
PNG
(MLS001175046 | N-[2-(dimethylamino)-2-(4-methoxyph...)
Show SMILES COc1ccc(cc1)C(CNC(=O)CCc1ccsc1)N(C)C
Show InChI InChI=1S/C18H24N2O2S/c1-20(2)17(15-5-7-16(22-3)8-6-15)12-19-18(21)9-4-14-10-11-23-13-14/h5-8,10-11,13,17H,4,9,12H2,1-3H3,(H,19,21)
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n/an/an/an/a 2.56E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM58506
PNG
(5-(2,6-dichlorophenyl)-N-(4-ethylphenyl)-4-phenyl-...)
Show SMILES CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1
Show InChI InChI=1S/C22H18Cl2N3S/c1-2-15-11-13-16(14-12-15)25-22-26-27(17-7-4-3-5-8-17)21(28-22)20-18(23)9-6-10-19(20)24/h3-14H,2H2,1H3,(H,25,26)/q+1
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n/an/an/an/a 1.42E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM83419
PNG
(2-[3-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-4-m...)
Show SMILES Cc1c(CCOC(=O)c2ccccc2)sc[n+]1CC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H19BrNO3S/c1-15-20(11-12-26-21(25)17-5-3-2-4-6-17)27-14-23(15)13-19(24)16-7-9-18(22)10-8-16/h2-10,14H,11-13H2,1H3/q+1
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Homo sapiens (human))
BDBM66946
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(...)
Show SMILES CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCc2ccccc2C1)c1nc2ccc(F)cc2s1
Show InChI InChI=1S/C28H29FN4O3S2/c1-31(2)15-5-16-33(28-30-25-13-10-23(29)18-26(25)37-28)27(34)21-8-11-24(12-9-21)38(35,36)32-17-14-20-6-3-4-7-22(20)19-32/h3-4,6-13,18H,5,14-17,19H2,1-2H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q22V2DN3
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 229 total )  |  Next  |  Last  >>
* indicates data uncertainty>20%