Found 16 hits Enz. Inhib. hit(s) with all data for entry = 50036247 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50005576
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,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
Patents
Similars
| PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50005576
((3S,8R)-3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3...)Show SMILES COC(=O)C1C2CC[C@H](C[C@@H]1c1ccc(I)cc1)N2C |THB:2:4:18:6.7,11:10:18:6.7,19:18:4.10.9:6.7| Show InChI InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13-,14?,15?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50059486
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21+/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50451132
(CHEMBL2079586 | WIN-35428)Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,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
| PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50451132
(CHEMBL2079586 | WIN-35428)Show SMILES [H][C@@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C |r,TLB:9:7:20:3.2,21:20:6.7.8:3.2,THB:16:6:20:3.2| Show InChI InChI=1S/C16H20FNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,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
| PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50366775
(BENZTROPINE | Benzatropine)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| DrugBank
PubMed
| n/a | n/a | 312 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50059486
((2R,3S)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)[C@@H]1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |TLB:11:10:27:6.7,THB:2:4:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.53E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 4.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 8.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50038743
((3S,8R)-3-[Bis-(4-fluoro-phenyl)-methoxy]-8-methyl...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(c1ccc(F)cc1)c1ccc(F)cc1)N2C |THB:11:10:27:6.7| Show InChI InChI=1S/C23H25F2NO3/c1-26-18-11-12-19(26)21(23(27)28-2)20(13-18)29-22(14-3-7-16(24)8-4-14)15-5-9-17(25)10-6-15/h3-10,18-22H,11-13H2,1-2H3/t18?,19?,20-,21?/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 2.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]WIN-35428 from monkey dopamine transporter |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50366775
(BENZTROPINE | Benzatropine)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19+,20+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PubMed
| n/a | n/a | 2.41E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Organix Inc.
Curated by ChEMBL
| Assay Description
Binding affinity of [3H]citalopram for serotonin transporter in monkey |
J Med Chem 37: 2001-10 (1994)
BindingDB Entry DOI: 10.7270/Q2M90992 |
More data for this
Ligand-Target Pair | |
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