Found 157 hits with Last Name = 'goljer' and Initial = 'i' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259277
((R,S/S,R)-syn-1-((4-methoxyphenyl)(methyl)amino)-3...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(OC)cc1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-7-5-4-6-8-14)20(2)15-9-11-16(22-3)12-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | PDB
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| CHEMBL
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| Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | PDB
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| DrugBank
Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50124566
((R)-2-((R)-(2-ethoxyphenoxy)(phenyl)methyl)morphol...)Show InChI InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3 | Reactome pathway
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | Reactome pathway
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| DrugBank
Article
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM35229
(3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N-met...)Show InChI InChI=1S/C18H22N2/c1-19-13-6-14-20-17-9-4-2-7-15(17)11-12-16-8-3-5-10-18(16)20/h2-5,7-10,19H,6,11-14H2,1H3 | Reactome pathway
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| DrugBank
Article
PubMed
| n/a | n/a | 3.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM84745
(CAS_136434-34-9 | DULOXETINE | LY-248686 | LY24868...)Show InChI InChI=1S/C18H19NOS/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16/h2-10,13,17,19H,11-12H2,1H3/t17-/m0/s1 | Reactome pathway
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| DrugBank
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Binding affinity to human recombinant LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM30130
(CHEMBL1201082 | CHEMBL41 | Fluoxetin | Fluoxetine ...)Show InChI InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | PDB
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| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259340
((1S,2R)-1-(3-fluorophenyl)-1-(methyl(phenyl)amino)...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(F)c1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-alpha
(Homo sapiens (Human)) | BDBM19993
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRalpha ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259276
((R,S/S,R)-syn-1-((3-methoxyphenyl)(methyl)amino)-3...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(OC)c1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-8-5-4-6-9-14)20(2)15-10-7-11-16(12-15)22-3/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50316094
(3-Ethyl-2-[3'-(methylsulfonyl)biphenyl-4-yl]-5-(tr...)Show SMILES CCc1nc2c(cccc2nc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C24H19F3N2O2S/c1-3-20-22(29-21-9-5-8-19(23(21)28-20)24(25,26)27)16-12-10-15(11-13-16)17-6-4-7-18(14-17)32(2,30)31/h4-14H,3H2,1-2H3 | PDB
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| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259273
((R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-4-3-5-8-13)20(2)15-10-6-9-14(18)11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| CHEMBL
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265547
(CHEMBL455476 | N-{1-[1-(3,3-Dimethylbutanoyl)-L-pr...)Show SMILES CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H36F3N3O6S2/c1-28(2,3)19-26(36)35-15-7-10-24(35)27(37)34-16-13-20(14-17-34)33-43(40,41)25-18-22(11-12-23(25)29(30,31)32)42(38,39)21-8-5-4-6-9-21/h4-6,8-9,11-12,18,20,24,33H,7,10,13-17,19H2,1-3H3/t24-/m0/s1 | NCI pathway
Reactome pathway
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| Article
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265554
((2S)-N-(tert-Butyl)-2-{[4-({[5-(phenylsulfonyl)-2-...)Show SMILES CC(C)(C)NC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H35F3N4O6S2/c1-27(2,3)32-26(37)35-15-7-10-23(35)25(36)34-16-13-19(14-17-34)33-43(40,41)24-18-21(11-12-22(24)28(29,30)31)42(38,39)20-8-5-4-6-9-20/h4-6,8-9,11-12,18-19,23,33H,7,10,13-17H2,1-3H3,(H,32,37)/t23-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265555
((2S)-N-Phenyl-2-{[4-({[5-(phenylsulfonyl)-2-(trifl...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H31F3N4O6S2/c31-30(32,33)25-14-13-24(44(40,41)23-10-5-2-6-11-23)20-27(25)45(42,43)35-22-15-18-36(19-16-22)28(38)26-12-7-17-37(26)29(39)34-21-8-3-1-4-9-21/h1-6,8-11,13-14,20,22,26,35H,7,12,15-19H2,(H,34,39)/t26-/m0/s1 | NCI pathway
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Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50005536
(42-548 | 5-(4-Chloro-phenyl)-2,5-dihydro-3H-imidaz...)Show InChI InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2 | NCI pathway
Reactome pathway
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Article
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of [3H]WIN-35428 binding to human recombinant DAT expressed in CHO cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259274
((R,S/S,R)-syn-1-((4-chlorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259274
((R,S/S,R)-syn-1-((4-chlorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259230
((R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylam...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(C)cc1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway
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| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265580
((2S)-N,N-Dimethyl-2-{[4-({[5-(phenylsulfonyl)-2-(t...)Show SMILES CN(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31F3N4O6S2/c1-31(2)25(35)33-14-6-9-22(33)24(34)32-15-12-18(13-16-32)30-41(38,39)23-17-20(10-11-21(23)26(27,28)29)40(36,37)19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,22,30H,6,9,12-16H2,1-2H3/t22-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265499
(CHEMBL495534 | N-[1-(1H-Imidazol-1-ylacetyl)piperi...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)Cn1ccnc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H23F3N4O5S2/c24-23(25,26)20-7-6-19(36(32,33)18-4-2-1-3-5-18)14-21(20)37(34,35)28-17-8-11-30(12-9-17)22(31)15-29-13-10-27-16-29/h1-7,10,13-14,16-17,28H,8-9,11-12,15H2 | NCI pathway
Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265553
((2S)-N-Ethyl-2-{[4-({[5-(phenylsulfonyl)-2-(triflu...)Show SMILES CCNC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C26H31F3N4O6S2/c1-2-30-25(35)33-14-6-9-22(33)24(34)32-15-12-18(13-16-32)31-41(38,39)23-17-20(10-11-21(23)26(27,28)29)40(36,37)19-7-4-3-5-8-19/h3-5,7-8,10-11,17-18,22,31H,2,6,9,12-16H2,1H3,(H,30,35)/t22-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259227
((R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylami...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265583
(CHEMBL451431 | N-{1-[1-(3,3-Dimethylbutyl)-L-proly...)Show SMILES CC(C)(C)CCN1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H38F3N3O5S2/c1-28(2,3)15-19-34-16-7-10-25(34)27(36)35-17-13-21(14-18-35)33-42(39,40)26-20-23(11-12-24(26)29(30,31)32)41(37,38)22-8-5-4-6-9-22/h4-6,8-9,11-12,20-21,25,33H,7,10,13-19H2,1-3H3/t25-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259229
((R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylam...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O/c1-14-8-7-11-16(12-14)20(3)18(17(21)13-19-2)15-9-5-4-6-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259231
((R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50316092
(5-Chloro-3-methyl-2-[3'-(methylsulfonyl)biphenyl-4...)Show SMILES Cc1nc2c(Cl)cccc2nc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O Show InChI InChI=1S/C22H17ClN2O2S/c1-14-21(25-20-8-4-7-19(23)22(20)24-14)16-11-9-15(10-12-16)17-5-3-6-18(13-17)28(2,26)27/h3-13H,1-2H3 | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259343
((R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-9-11-16(22-3)12-10-14)20(2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265545
(CHEMBL500903 | N-[1-(1-Isobutyryl-L-prolyl)piperid...)Show SMILES CC(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C27H32F3N3O6S2/c1-18(2)25(34)33-14-6-9-23(33)26(35)32-15-12-19(13-16-32)31-41(38,39)24-17-21(10-11-22(24)27(28,29)30)40(36,37)20-7-4-3-5-8-20/h3-5,7-8,10-11,17-19,23,31H,6,9,12-16H2,1-2H3/t23-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265584
(CHEMBL503281 | N-{1-[1-(Cyclohexylmethyl)-L-prolyl...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1CC1CCCCC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H38F3N3O5S2/c31-30(32,33)26-14-13-25(42(38,39)24-10-5-2-6-11-24)20-28(26)43(40,41)34-23-15-18-35(19-16-23)29(37)27-12-7-17-36(27)21-22-8-3-1-4-9-22/h2,5-6,10-11,13-14,20,22-23,27,34H,1,3-4,7-9,12,15-19,21H2/t27-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265581
(CHEMBL505036 | N-{1-[1-(Morpholin-4-ylcarbonyl)-L-...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H33F3N4O7S2/c29-28(30,31)23-9-8-22(43(38,39)21-5-2-1-3-6-21)19-25(23)44(40,41)32-20-10-13-33(14-11-20)26(36)24-7-4-12-35(24)27(37)34-15-17-42-18-16-34/h1-3,5-6,8-9,19-20,24,32H,4,7,10-18H2/t24-/m0/s1 | NCI pathway
Reactome pathway
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Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265546
(CHEMBL447079 | N-{1-[1-(2,2-Dimethylpropanoyl)-L-p...)Show SMILES CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H34F3N3O6S2/c1-27(2,3)26(36)34-15-7-10-23(34)25(35)33-16-13-19(14-17-33)32-42(39,40)24-18-21(11-12-22(24)28(29,30)31)41(37,38)20-8-5-4-6-9-20/h4-6,8-9,11-12,18-19,23,32H,7,10,13-17H2,1-3H3/t23-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259273
((R,S/S,R)-syn-1-((3-chlorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(Cl)c1)c1ccccc1 |r| Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-4-3-5-8-13)20(2)15-10-6-9-14(18)11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50366567
(ATOMOXETINE)Show InChI InChI=1S/C17H21NO/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15/h3-11,17-18H,12-13H2,1-2H3/t17-/m1/s1 | PDB
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Article
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| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265549
(CHEMBL507695 | N-{1-[1-(Cyclohexylcarbonyl)-L-prol...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)C1CCCCC1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H36F3N3O6S2/c31-30(32,33)25-14-13-24(43(39,40)23-10-5-2-6-11-23)20-27(25)44(41,42)34-22-15-18-35(19-16-22)29(38)26-12-7-17-36(26)28(37)21-8-3-1-4-9-21/h2,5-6,10-11,13-14,20-22,26,34H,1,3-4,7-9,12,15-19H2/t26-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50316097
(3-Methyl-2-[3'-(methylsulfonyl)biphenyl-4-yl]-5-(t...)Show SMILES Cc1nc2c(cccc2nc1-c1ccc(cc1)-c1cccc(c1)S(C)(=O)=O)C(F)(F)F Show InChI InChI=1S/C23H17F3N2O2S/c1-14-21(28-20-8-4-7-19(22(20)27-14)23(24,25)26)16-11-9-15(10-12-16)17-5-3-6-18(13-17)31(2,29)30/h3-13H,1-2H3 | PDB
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| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259343
((R,S/S,R)-syn-1-(4-methoxyphenyl)-1-(methyl(phenyl...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C18H24N2O2/c1-19-13-17(21)18(14-9-11-16(22-3)12-10-14)20(2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265500
((S)-tert-butyl 2-(4-(5-(phenylsulfonyl)-2-(trifluo...)Show SMILES CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCC(CC1)NS(=O)(=O)c1cc(ccc1C(F)(F)F)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C28H34F3N3O7S2/c1-27(2,3)41-26(36)34-15-7-10-23(34)25(35)33-16-13-19(14-17-33)32-43(39,40)24-18-21(11-12-22(24)28(29,30)31)42(37,38)20-8-5-4-6-9-20/h4-6,8-9,11-12,18-19,23,32H,7,10,13-17H2,1-3H3/t23-/m0/s1 | NCI pathway
Reactome pathway
KEGG
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| CHEMBL
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50305494
(4-(3-(3-chloro-5-(methylsulfonyl)phenoxy)phenyl)-8...)Show SMILES CS(=O)(=O)c1cc(Cl)cc(Oc2cccc(c2)-c2c(cnc3c(cccc23)C(F)(F)F)C(N)=O)c1 Show InChI InChI=1S/C24H16ClF3N2O4S/c1-35(32,33)17-10-14(25)9-16(11-17)34-15-5-2-4-13(8-15)21-18-6-3-7-20(24(26,27)28)22(18)30-12-19(21)23(29)31/h2-12H,1H3,(H2,29,31) | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259229
((R,S/S,R)-syn-1-(methyl(m-tolyl)amino)-3-(methylam...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1cccc(C)c1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O/c1-14-8-7-11-16(12-14)20(3)18(17(21)13-19-2)15-9-5-4-6-10-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | Reactome pathway
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259231
((R,S/S,R)-syn-1-((4-fluorophenyl)(methyl)amino)-3-...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(F)cc1)c1ccccc1 |r| Show InChI InChI=1S/C17H21FN2O/c1-19-12-16(21)17(13-6-4-3-5-7-13)20(2)15-10-8-14(18)9-11-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259344
((R,S/S,R)-syn-3-amino-1-(methyl(phenyl)amino)-1-ph...)Show InChI InChI=1S/C16H20N2O/c1-18(14-10-6-3-7-11-14)16(15(19)12-17)13-8-4-2-5-9-13/h2-11,15-16,19H,12,17H2,1H3/t15-,16+/m1/s1 | Reactome pathway
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265552
(CHEMBL454478 | N-[1-(1-Isonicotinoyl-L-prolyl)pipe...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccncc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C29H29F3N4O6S2/c30-29(31,32)24-9-8-23(43(39,40)22-5-2-1-3-6-22)19-26(24)44(41,42)34-21-12-17-35(18-13-21)28(38)25-7-4-16-36(25)27(37)20-10-14-33-15-11-20/h1-3,5-6,8-11,14-15,19,21,25,34H,4,7,12-13,16-18H2/t25-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265550
(CHEMBL510748 | N-[1-(1-Benzoyl-L-prolyl)piperidin-...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C30H30F3N3O6S2/c31-30(32,33)25-14-13-24(43(39,40)23-10-5-2-6-11-23)20-27(25)44(41,42)34-22-15-18-35(19-16-22)29(38)26-12-7-17-36(26)28(37)21-8-3-1-4-9-21/h1-6,8-11,13-14,20,22,26,34H,7,12,15-19H2/t26-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50259341
((R,S/S,R)-syn-1-(3-chlorophenyl)-1-(methyl(phenyl)...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H21ClN2O/c1-19-12-16(21)17(13-7-6-8-14(18)11-13)20(2)15-9-4-3-5-10-15/h3-11,16-17,19,21H,12H2,1-2H3/t16-,17+/m1/s1 | Reactome pathway
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| CHEMBL
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PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of norepinephrine uptake at human NET expressed in MDCK-Net6 cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259230
((R,S/S,R)-syn-1-(methyl(p-tolyl)amino)-3-(methylam...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccc(C)cc1)c1ccccc1 |r| Show InChI InChI=1S/C18H24N2O/c1-14-9-11-16(12-10-14)20(3)18(17(21)13-19-2)15-7-5-4-6-8-15/h4-12,17-19,21H,13H2,1-3H3/t17-,18+/m1/s1 | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50259227
((R,S/S,R)-syn-1-(methyl(phenyl)amino)-3-(methylami...)Show SMILES CNC[C@@H](O)[C@@H](N(C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C17H22N2O/c1-18-13-16(20)17(14-9-5-3-6-10-14)19(2)15-11-7-4-8-12-15/h3-12,16-18,20H,13H2,1-2H3/t16-,17+/m1/s1 | PDB
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| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibition of serotonin uptake at human SERT expressed in human JAR cells |
Bioorg Med Chem Lett 19: 2464-7 (2009)
Article DOI: 10.1016/j.bmcl.2009.03.054
BindingDB Entry DOI: 10.7270/Q2T43V1C |
More data for this
Ligand-Target Pair | |
Oxysterols receptor LXR-beta
(Homo sapiens (Human)) | BDBM50316096
(CHEMBL1090916 | N-Methyl-4'-[3-methyl-5-(trifluoro...)Show SMILES CNS(=O)(=O)c1cccc(c1)-c1ccc(cc1)-c1nc2cccc(c2nc1C)C(F)(F)F Show InChI InChI=1S/C23H18F3N3O2S/c1-14-21(29-20-8-4-7-19(22(20)28-14)23(24,25)26)16-11-9-15(10-12-16)17-5-3-6-18(13-17)32(30,31)27-2/h3-13,27H,1-2H3 | PDB
UniProtKB/SwissProt
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PC cid
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| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Pharmaceuticals
Curated by ChEMBL
| Assay Description
Displacement of [3H]T0901317 from human LXRbeta ligand binding domain |
J Med Chem 53: 3296-304 (2010)
Article DOI: 10.1021/jm100034x
BindingDB Entry DOI: 10.7270/Q29W0FN8 |
More data for this
Ligand-Target Pair | |
Secreted frizzled-related protein 1
(Homo sapiens (Human)) | BDBM50265505
(CHEMBL525899 | N-[1-(5-oxo-L-Prolyl)piperidin-4-yl...)Show SMILES FC(F)(F)c1ccc(cc1S(=O)(=O)NC1CCN(CC1)C(=O)[C@@H]1CCC(=O)N1)S(=O)(=O)c1ccccc1 |r| Show InChI InChI=1S/C23H24F3N3O6S2/c24-23(25,26)18-7-6-17(36(32,33)16-4-2-1-3-5-16)14-20(18)37(34,35)28-15-10-12-29(13-11-15)22(31)19-8-9-21(30)27-19/h1-7,14-15,19,28H,8-13H2,(H,27,30)/t19-/m0/s1 | NCI pathway
Reactome pathway
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| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Binding affinity to human purified SARP2 by fluorescent polarization assay |
J Med Chem 52: 105-16 (2009)
Article DOI: 10.1021/jm801144h
BindingDB Entry DOI: 10.7270/Q2NZ87HT |
More data for this
Ligand-Target Pair | |
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