Found 11 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50033924 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)) | 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
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet 
| Purchase
CHEMBL
DrugBank
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| 22.1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353937
(CHEMBL1830887)Show SMILES Fc1ccc(cc1)N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r| Show InChI InChI=1S/C18H20FN3O3S/c19-14-5-7-15(8-6-14)22-18-4-2-1-3-17(18)21(26(22,23)24)11-9-16-13-20-10-12-25-16/h1-8,16,20H,9-13H2/t16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353929
(CHEMBL1830881)Show SMILES O=S1(=O)N(C[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r| Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 341 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353927
(CHEMBL1830878)Show SMILES O=S1(=O)N(CC[C@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 479 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353928
(CHEMBL1830879)Show SMILES O=S1(=O)N(CC[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r| Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2/t16-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 599 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353930
(CHEMBL1830882)Show SMILES O=S1(=O)N(C[C@@H]2CNCCO2)c2ccccc2N1c1ccccc1 |r| Show InChI InChI=1S/C17H19N3O3S/c21-24(22)19(13-15-12-18-10-11-23-15)16-8-4-5-9-17(16)20(24)14-6-2-1-3-7-14/h1-9,15,18H,10-13H2/t15-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 792 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353926
(CHEMBL1830877)Show InChI InChI=1S/C18H21N3O3S/c22-25(23)20(12-10-16-14-19-11-13-24-16)17-8-4-5-9-18(17)21(25)15-6-2-1-3-7-15/h1-9,16,19H,10-14H2 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 964 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353931
(CHEMBL1830875)Show SMILES CNC[C@H](CCN1c2ccccc2N(c2ccccc2)S1(=O)=O)OC |r| Show InChI InChI=1S/C18H23N3O3S/c1-19-14-16(24-2)12-13-20-17-10-6-7-11-18(17)21(25(20,22)23)15-8-4-3-5-9-15/h3-11,16,19H,12-14H2,1-2H3/t16-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353938
(CHEMBL1830888)Show SMILES Fc1ccc(N2c3ccccc3N(CC[C@@H]3CNCCO3)S2(=O)=O)c(F)c1 |r| Show InChI InChI=1S/C18H19F2N3O3S/c19-13-5-6-16(15(20)11-13)23-18-4-2-1-3-17(18)22(27(23,24)25)9-7-14-12-21-8-10-26-14/h1-6,11,14,21H,7-10,12H2/t14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50319578
((2S)-(4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benz...)Show SMILES CNC[C@@H](O)CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O |r| Show InChI InChI=1S/C17H20FN3O3S/c1-19-12-13(22)10-11-20-16-8-4-5-9-17(16)21(25(20,23)24)15-7-3-2-6-14(15)18/h2-9,13,19,22H,10-12H2,1H3/t13-/m0/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50353935
(CHEMBL1830885)Show SMILES Fc1ccccc1N1c2ccccc2N(CC[C@@H]2CNCCO2)S1(=O)=O |r| Show InChI InChI=1S/C18H20FN3O3S/c19-15-5-1-2-6-16(15)22-18-8-4-3-7-17(18)21(26(22,23)24)11-9-14-13-20-10-12-25-14/h1-8,14,20H,9-13H2/t14-/m1/s1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.19E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-WIN-35428 from human DAT expressed in CHO cells |
J Med Chem 54: 6824-31 (2011)
Article DOI: 10.1021/jm200733r
BindingDB Entry DOI: 10.7270/Q2XD1227 |
More data for this
Ligand-Target Pair | |
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