Found 14 hits with Last Name = 'fowler' and Initial = 'js' 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 |
Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]
(Staphylococcus aureus) | BDBM97445
(PT119)Show InChI InChI=1S/C19H21NO2/c1-2-3-4-5-8-15-11-12-19(17(21)13-15)22-18-10-7-6-9-16(18)14-20/h6-7,9-13,21H,2-5,8H2,1H3 | PDB MMDB
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Stony Brook University
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus enoyl ACP reductase |
Eur J Med Chem 88: 66-73 (2014)
Article DOI: 10.1016/j.ejmech.2014.09.008 BindingDB Entry DOI: 10.7270/Q25T3N3S |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50401014
(CHEMBL2206307)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(Cl)cc1)N2CCF |r,TLB:11:10:6.7:18,THB:2:4:6.7:18| Show InChI InChI=1S/C17H21ClFNO2/c1-22-17(21)16-14(11-2-4-12(18)5-3-11)10-13-6-7-15(16)20(13)9-8-19/h2-5,13-16H,6-10H2,1H3/t13-,14+,15+,16-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Binding affinity to DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.93 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]WIN35,428 from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Brookhaven National Laboratory
Curated by ChEMBL
| Assay Description Inhibition of human dopamine transporter |
Bioorg Med Chem Lett 19: 4343-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.05.090 BindingDB Entry DOI: 10.7270/Q27081HZ |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3.26 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]DA from human DAT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50114826
(8-(4-Methoxy-phenyl)-8-oxo-octanoic acid hydroxyam...)Show InChI InChI=1S/C15H21NO4/c1-20-13-10-8-12(9-11-13)14(17)6-4-2-3-5-7-15(18)16-19/h8-11,19H,2-7H2,1H3,(H,16,18) | 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 | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Chonbuk National University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 (unknown origin) |
Bioorg Med Chem Lett 23: 6700-5 (2013)
Article DOI: 10.1016/j.bmcl.2013.10.038 BindingDB Entry DOI: 10.7270/Q2P2722W |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent noradrenaline transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 31.0 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]NE from human NET expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Amine oxidase [flavin-containing] A/B
(Homo sapiens (Human)) | BDBM50228339
(CHEMBL58177)Show InChI InChI=1S/C13H16FN/c1-4-9-15(3)11(2)10-12-5-7-13(14)8-6-12/h1,5-8,11H,9-10H2,2-3H3/t11-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Brookhaven National Laboratory
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against Monoamine oxidase in baboon brain was determined |
J Med Chem 33: 2015-9 (1990)
BindingDB Entry DOI: 10.7270/Q29K4DFK |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]citalopram from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50296249
((1R,2S,3S,5S)-methyl 8-(4-fluorobut-2-ynyl)-3-p-to...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2CC#CCF |r,TLB:19:18:10.4.9:6.7| Show InChI InChI=1S/C20H24FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h5-8,16-19H,9-13H2,1-2H3/t16-,17+,18+,19-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Displacement of [3H]5-HT from human SERT expressed in HEK293 cells |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50006543
(3-(2-Iodo-benzoyloxy)-8-methyl-8-aza-bicyclo[3.2.1...)Show SMILES COC(=O)C1C2CCC(C[C@@H]1OC(=O)c1ccccc1I)N2C |THB:11:10:21:6.7,2:4:21:6.7,22:21:4.10.9:6.7| Show InChI InChI=1S/C17H20INO4/c1-19-10-7-8-13(19)15(17(21)22-2)14(9-10)23-16(20)11-5-3-4-6-12(11)18/h3-6,10,13-15H,7-9H2,1-2H3/t10?,13?,14-,15?/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
Brookhaven National Laboratory
Curated by ChEMBL
| Assay Description Concentration of the compound inhibiting [3H]-Cocaine binding site to rat striatal membranes. |
J Med Chem 35: 2178-83 (1992)
BindingDB Entry DOI: 10.7270/Q2FT8K00 |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50296782
((1R,2S,3S,5S)-methyl 8-((E)-3-iodoallyl)-3-p-tolyl...)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\I |r,THB:19:18:4.10.9:6.7| Show InChI InChI=1S/C19H24INO2/c1-13-4-6-14(7-5-13)16-12-15-8-9-17(18(16)19(22)23-2)21(15)11-3-10-20/h3-7,10,15-18H,8-9,11-12H2,1-2H3/b10-3+/t15-,16+,17+,18-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Binding affinity to rat DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Rattus norvegicus (rat)) | BDBM50401015
(CHEMBL1947086)Show SMILES COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccc(C)cc1)N2C\C=C\CF |r,THB:19:18:4.10.9:7.6| Show InChI InChI=1S/C20H26FNO2/c1-14-5-7-15(8-6-14)17-13-16-9-10-18(19(17)20(23)24-2)22(16)12-4-3-11-21/h3-8,16-19H,9-13H2,1-2H3/b4-3+/t16-,17+,18+,19-/m0/s1 | Reactome pathway KEGG
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a |
Johannes Gutenberg University
Curated by ChEMBL
| Assay Description Binding affinity to rat DAT |
Bioorg Med Chem Lett 22: 679-82 (2011)
Article DOI: 10.1016/j.bmcl.2011.10.053 BindingDB Entry DOI: 10.7270/Q2ZW1N2D |
More data for this Ligand-Target Pair | |