Found 224 hits with Last Name = 'hering' and Initial = 's' 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 |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241111
(3-(2-Amino-4-fluoro-phenylamino)-6H-dibenzo[b,e]ox...)Show InChI InChI=1S/C20H15FN2O2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13336
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1 Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM13533
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241112
(2-(2-Amino-phenylamino)-10,11-dihydro-dibenzo[a,d]...)Show InChI InChI=1S/C21H18N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-8,11-13,23H,9-10,22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50136897
((2-Chloro-4-phenylamino-phenyl)-o-tolyl-methanone ...)Show InChI InChI=1S/C20H16ClNO/c1-14-7-5-6-10-17(14)20(23)18-12-11-16(13-19(18)21)22-15-8-3-2-4-9-15/h2-13,22H,1H3 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | 3D Structure (docked) |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370778
(CHEMBL220074)Show InChI InChI=1S/C20H16N2OS/c21-17-7-3-4-8-18(17)22-14-9-10-16-19(11-14)24-12-13-5-1-2-6-15(13)20(16)23/h1-11,22H,12,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 196 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241114
(3-(2,4-Difluoro-phenylamino)-6H-dibenzo[b,e]oxepin...)Show InChI InChI=1S/C20H13F2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 239 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241115
(3-(2-Amino-phenylamino)-6H-dibenzo[b,e]oxepin-11-o...)Show InChI InChI=1S/C20H16N2O2/c21-17-7-3-4-8-18(17)22-14-9-10-16-19(11-14)24-12-13-5-1-2-6-15(13)20(16)23/h1-11,22H,12,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 303 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519987
(CHEMBL4465494)Show SMILES [O-][S@@+](Cc1cscn1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50241113
(2-(2-amino-phenylamino)-dibenzo[a,d]cyclohepten-5-...)Show InChI InChI=1S/C21H16N2O/c22-19-7-3-4-8-20(19)23-16-11-12-18-15(13-16)10-9-14-5-1-2-6-17(14)21(18)24/h1-13,23H,22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| n/a | n/a | 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520001
(CHEMBL4473574)Show SMILES [O-][S@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370774
(CHEMBL219692)Show InChI InChI=1S/C21H18N2O/c22-16-7-9-17(10-8-16)23-18-11-12-20-15(13-18)6-5-14-3-1-2-4-19(14)21(20)24/h1-4,7-13,23H,5-6,22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370776
(CHEMBL373775)Show InChI InChI=1S/C20H16N2O2/c21-14-5-3-6-15(10-14)22-16-8-9-18-19(11-16)24-12-13-4-1-2-7-17(13)20(18)23/h1-11,22H,12,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370770
(CHEMBL219424)Show InChI InChI=1S/C20H15FN2O2/c21-17-9-13(22)5-8-18(17)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520000
(CHEMBL4567505)Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519996
(CHEMBL4593487)Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.85E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519985
(CHEMBL4522454)Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519978
(CHEMBL4469951)Show SMILES [O-][S@@+](Cc1cncs1)[C@@H](c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519986
(CHEMBL4552477)Show SMILES [O-][S@@+](Cc1cscn1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-21-12-19-16/h1-10,12,17H,11H2/t17-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.99E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520007
(CHEMBL4437004)Show InChI InChI=1S/C17H14ClNOS2/c18-17-19-15(11-21-17)12-22(20)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11,16H,12H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370777
(CHEMBL375350)Show InChI InChI=1S/C20H13Cl2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370775
(CHEMBL219259)Show InChI InChI=1S/C20H16N2O2/c21-17-6-2-3-7-18(17)22-14-9-10-15-13(11-14)12-24-19-8-4-1-5-16(19)20(15)23/h1-11,22H,12,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519990
(CHEMBL4459152)Show InChI InChI=1S/C18H17NOS2/c1-14-19-17(12-21-14)13-22(20)18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-12,18H,13H2,1H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519965
(CHEMBL4552525)Show SMILES Cc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r| Show InChI InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519979
(CHEMBL4459947)Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519981
(CHEMBL4445285)Show SMILES COc1ccc(cc1)[C@@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r| Show InChI InChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519977
(CHEMBL4455184)Show SMILES [O-][S@@+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519972
(CHEMBL4439598)Show SMILES [O-][S+](Cc1csc(n1)C1CC1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C20H19NOS2/c22-24(14-18-13-23-20(21-18)17-11-12-17)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,13,17,19H,11-12,14H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519971
(CHEMBL4568351)Show SMILES [O-][S+](Cc1cncs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.17E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520015
(CHEMBL4543324)Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520013
(CHEMBL4456176)Show InChI InChI=1S/C17H15NOS2/c19-21(12-16-11-18-13-20-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.61E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519984
(CHEMBL4438894)Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Br)cc1 |r| Show InChI InChI=1S/C17H14BrNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370772
(CHEMBL220349)Show InChI InChI=1S/C20H13Br2NO2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370771
(CHEMBL219965)Show InChI InChI=1S/C20H16N2O2/c21-14-5-7-15(8-6-14)22-16-9-10-18-19(11-16)24-12-13-3-1-2-4-17(13)20(18)23/h1-11,22H,12,21H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Mitogen-activated protein kinase 14
(Homo sapiens (Human)) | BDBM50370773
(CHEMBL219476)Show InChI InChI=1S/C20H17N3O2/c21-13-5-8-18(17(22)9-13)23-14-6-7-16-19(10-14)25-11-12-3-1-2-4-15(12)20(16)24/h1-10,23H,11,21-22H2 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eberhard-Karls-Universit£t
Curated by ChEMBL
| Assay Description Inhibition of p38 alpha |
J Med Chem 49: 7912-5 (2006)
Article DOI: 10.1021/jm061072p BindingDB Entry DOI: 10.7270/Q26Q1Z2K |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519974
(CHEMBL4583781)Show SMILES [O-][S+](Cc1cscn1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-22-11-20-16/h1-9,11,17H,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519989
(CHEMBL4473522)Show SMILES [O-][S@@+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2/t23-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520004
(CHEMBL4453763)Show SMILES Cc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r| Show InChI InChI=1S/C18H17NOS2/c1-14-7-9-16(10-8-14)18(15-5-3-2-4-6-15)22(20)12-17-11-19-13-21-17/h2-11,13,18H,12H2,1H3/t18-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520014
(CHEMBL4470394)Show SMILES [O-][S+](Cc1cncs1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-20-11-22-16/h1-9,11,17H,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50336892
((R)-Modafinil | ARMODAFINIL | CHEMBL1201192 | Nuvi...)Show InChI InChI=1S/C15H15NO2S/c16-14(17)11-19(18)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,16,17)/t19-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519991
(CHEMBL4576306)Show InChI InChI=1S/C17H15NOS2/c19-21(12-16-11-20-13-18-16)17(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-11,13,17H,12H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519994
(CHEMBL4441345)Show SMILES [O-][S+](Cc1cscn1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C17H13F2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)10-16-9-22-11-20-16/h1-9,11,17H,10H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.76E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519970
(CHEMBL4444833)Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cncs1)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-20-13-22-18/h3-11,13,19H,12H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520012
(CHEMBL4569016)Show SMILES [O-][S+](Cc1csc(n1)-c1cccs1)C(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H17NOS3/c23-26(15-18-14-25-21(22-18)19-12-7-13-24-19)20(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-14,20H,15H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6.97E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520003
(CHEMBL4436791)Show SMILES Cc1ccc(cc1)C([S+]([O-])Cc1cscn1)c1ccc(C)cc1 Show InChI InChI=1S/C19H19NOS2/c1-14-3-7-16(8-4-14)19(17-9-5-15(2)6-10-17)23(21)12-18-11-22-13-20-18/h3-11,13,19H,12H2,1-2H3 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.32E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520011
(CHEMBL4532133)Show SMILES [O-][S@@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519980
(CHEMBL4464187)Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C17H14ClNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519960
(CHEMBL4441307)Show SMILES [O-][S@+](Cc1cncs1)[C@H](c1ccccc1)c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H14FNOS2/c18-15-8-6-14(7-9-15)17(13-4-2-1-3-5-13)22(20)11-16-10-19-12-21-16/h1-10,12,17H,11H2/t17-,22-/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50520018
(CHEMBL4453638)Show SMILES [O-][S+](Cc1nccs1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H13Cl2NOS2/c18-14-5-1-12(2-6-14)17(13-3-7-15(19)8-4-13)23(21)11-16-20-9-10-22-16/h1-10,17H,11H2 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 9.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50519961
(CHEMBL4568024)Show SMILES COc1ccc(cc1)[C@H]([S@@+]([O-])Cc1cncs1)c1ccccc1 |r| Show InChI InChI=1S/C18H17NO2S2/c1-21-16-9-7-15(8-10-16)18(14-5-3-2-4-6-14)23(20)12-17-11-19-13-22-17/h2-11,13,18H,12H2,1H3/t18-,23+/m1/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.22E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Vienna
Curated by ChEMBL
| Assay Description Inhibition of wild type human dopamine transporter expressed in HEK293 cells assessed as inhibition of [3H]dopamine reuptake preincubated for 5 mins ... |
J Med Chem 63: 391-417 (2020)
Article DOI: 10.1021/acs.jmedchem.9b01938 BindingDB Entry DOI: 10.7270/Q28W3HPC |
More data for this Ligand-Target Pair | |