Found 11 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 dopamine transporter
(Homo sapiens (Human)) | BDBM50171941
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50080827
((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...)Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+ | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 97 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50171941
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 277 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM86207
(CAS_50-36-2 | COCAINE | NSC_446220)Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 469 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50080827
((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...)Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50080827
((2R,6S)-1-Methyl-2,6-diphenethyl-piperidine | (2S,...)Show SMILES CN1[C@@H](CCc2ccccc2)CCC[C@H]1CCc1ccccc1 |r| Show InChI InChI=1S/C22H29N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,21-22H,8,13-18H2,1H3/t21-,22+ | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50047021
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 1.87E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50171941
((2R,6S)-1-Methyl-2,6-bis-((E)-styryl)-piperidine |...)Show SMILES CN1[C@@H](CCC[C@@H]1\C=C\c1ccccc1)\C=C\c1ccccc1 Show InChI InChI=1S/C22H25N/c1-23-21(17-15-19-9-4-2-5-10-19)13-8-14-22(23)18-16-20-11-6-3-7-12-20/h2-7,9-12,15-18,21-22H,8,13-14H2,1H3/b17-15+,18-16+/t21-,22+ | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM86207
(CAS_50-36-2 | COCAINE | NSC_446220)Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3 | Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50047021
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| 5.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50047021
(2-(6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2...)Show InChI InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3 | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Kentucky
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 310: 1035-45 (2004)
Article DOI: 10.1124/jpet.104.068098
BindingDB Entry DOI: 10.7270/Q2WH2NJN |
More data for this
Ligand-Target Pair | |
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