Found 15 hits of Enzyme Inhibition Constant Data 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 noradrenaline transporter
(Homo sapiens (Human)) | BDBM50210954
((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.78 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50210953
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50210955
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.98 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50210955
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50210953
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210953
((1R,2S,3R,5R)-methyl 3-(4-ethynylphenyl)-8-aza-bic...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(cc1)C#C)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H19NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h1,4-7,13-16,18H,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | PDB
KEGG
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DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.45 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210955
((1R,2S,3R,5R)-methyl 3-(4-iodophenyl)-8-aza-bicycl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(I)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C15H18INO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11-14,17H,6-8H2,1H3/t11-,12+,13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50210951
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50210952
((1R,2S,3R,5R)-methyl 3-p-tolyl-8-aza-bicyclo[3.2.1...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13+,14-,15+/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.88 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50210954
((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210951
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50210951
((1R,2S,3R,5R)-methyl 3-(4-vinylphenyl)-8-aza-bicyc...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C=C)cc1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C17H21NO2/c1-3-11-4-6-12(7-5-11)14-10-13-8-9-15(18-13)16(14)17(19)20-2/h3-7,13-16,18H,1,8-10H2,2H3/t13-,14+,15-,16+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 10.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50210952
((1R,2S,3R,5R)-methyl 3-p-tolyl-8-aza-bicyclo[3.2.1...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13+,14-,15+/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 11.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [125I]RTI55 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210954
((1R,2S,3R,5R)-methyl 3-(3-fluoro-4-methylphenyl)-8...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)c(F)c1)N2 |TLB:11:10:19:7.6,THB:2:4:19:7.6| Show InChI InChI=1S/C16H20FNO2/c1-9-3-4-10(7-13(9)17)12-8-11-5-6-14(18-11)15(12)16(19)20-2/h3-4,7,11-12,14-15,18H,5-6,8H2,1-2H3/t11-,12+,14-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50210952
((1R,2S,3R,5R)-methyl 3-p-tolyl-8-aza-bicyclo[3.2.1...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@H](C[C@H]1c1ccc(C)cc1)N2 |TLB:11:10:18:7.6,THB:2:4:18:7.6| Show InChI InChI=1S/C16H21NO2/c1-10-3-5-11(6-4-10)13-9-12-7-8-14(17-12)15(13)16(18)19-2/h3-6,12-15,17H,7-9H2,1-2H3/t12-,13+,14-,15+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Emory University
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 17: 3044-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.03.056
BindingDB Entry DOI: 10.7270/Q27D2TTC |
More data for this
Ligand-Target Pair | |
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