Found 308 hits with Last Name = 'locuson' and Initial = 'cw' 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 |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| 19 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027081
(CHEMBL3335555)Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158458
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 33 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027083
(CHEMBL3335556)Show InChI InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50158458
((2-ethylbenzofuran-3-yl)(4-hydroxy-3,5-dimethylphe...)Show InChI InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C9 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027078
(CHEMBL3335538)Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027079
(CHEMBL3335539)Show InChI InChI=1S/C20H25NO2/c1-22-19-10-8-18(9-11-19)15-21-13-14-23-20(16-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,7,12-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027080
(CHEMBL3335554)Show SMILES FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 65 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027074
(CHEMBL3335537)Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027092
(CHEMBL3335540)Show InChI InChI=1S/C19H22ClNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027187
(CHEMBL3335542)Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-8-4-7-17(13-18)14-24-11-12-25-19(15-24)10-9-16-5-2-1-3-6-16/h1-8,13,19H,9-12,14-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027072
(CHEMBL3335535)Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22) | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158464
((2-ethylbenzofuran-3-yl)(4-methoxy-3,5-dimethylphe...)Show InChI InChI=1S/C20H20O3/c1-5-16-18(15-8-6-7-9-17(15)23-16)19(21)14-10-12(2)20(22-4)13(3)11-14/h6-11H,5H2,1-4H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158470
(2,6-dibromo-4-((2-ethylbenzofuran-3-yl)(hydroxy)me...)Show InChI InChI=1S/C17H14Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,16,20-21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027257
(CHEMBL3335543)Show InChI InChI=1S/C19H22FNO/c20-18-9-6-17(7-10-18)14-21-12-13-22-19(15-21)11-8-16-4-2-1-3-5-16/h1-7,9-10,19H,8,11-15H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158463
((3,5-dibromo-4-methoxyphenyl)(2-ethylbenzofuran-3-...)Show InChI InChI=1S/C18H14Br2O3/c1-3-14-16(11-6-4-5-7-15(11)23-14)17(21)10-8-12(19)18(22-2)13(20)9-10/h4-9H,3H2,1-2H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027258
(CHEMBL3335544)Show InChI InChI=1S/C19H23NO/c1-3-7-17(8-4-1)11-12-19-16-20(13-14-21-19)15-18-9-5-2-6-10-18/h1-10,19H,11-16H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027182
(CHEMBL3335541)Show InChI InChI=1S/C20H25NO/c1-17-7-5-6-10-19(17)15-21-13-14-22-20(16-21)12-11-18-8-3-2-4-9-18/h2-10,20H,11-16H2,1H3 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027261
(CHEMBL3335545)Show InChI InChI=1S/C19H21F2NO/c20-18-7-4-8-19(21)17(18)14-22-11-12-23-16(13-22)10-9-15-5-2-1-3-6-15/h1-8,16H,9-14H2 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158467
(2-(3,5-dibromo-4-hydroxyphenyl)-1-(2-ethylbenzofur...)Show InChI InChI=1S/C18H14Br2O3/c1-2-15-17(11-5-3-4-6-16(11)23-15)14(21)9-10-7-12(19)18(22)13(20)8-10/h3-8,22H,2,9H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158469
((3,5-dibromo-4-hydroxyphenyl)(2-methylbenzofuran-3...)Show InChI InChI=1S/C16H10Br2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158457
((4-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C16H12O3/c1-10-15(13-4-2-3-5-14(13)19-10)16(18)11-6-8-12(17)9-7-11/h2-9,17H,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027078
(CHEMBL3335538)Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027081
(CHEMBL3335555)Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027079
(CHEMBL3335539)Show InChI InChI=1S/C20H25NO2/c1-22-19-10-8-18(9-11-19)15-21-13-14-23-20(16-21)12-7-17-5-3-2-4-6-17/h2-6,8-11,20H,7,12-16H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027080
(CHEMBL3335554)Show SMILES FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2/t19-/m1/s1 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158462
((4-(dimethylamino)phenyl)(2-ethylbenzofuran-3-yl)m...)Show InChI InChI=1S/C19H19NO2/c1-4-16-18(15-7-5-6-8-17(15)22-16)19(21)13-9-11-14(12-10-13)20(2)3/h5-12H,4H2,1-3H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158460
((3,5-dibromo-4-hydroxyphenyl)(2-ethyl-1-benzofuran...)Show InChI InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158459
((3-hydroxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C16H12O3/c1-10-15(13-7-2-3-8-14(13)19-10)16(18)11-5-4-6-12(17)9-11/h2-9,17H,1H3 | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158466
((4-methoxyphenyl)(2-methylbenzofuran-3-yl)methanon...)Show InChI InChI=1S/C17H14O3/c1-11-16(14-5-3-4-6-15(14)20-11)17(18)12-7-9-13(19-2)10-8-12/h3-10H,1-2H3 | PDB MMDB
Reactome pathway KEGG
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| 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027078
(CHEMBL3335538)Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2 | PDB
Reactome pathway KEGG
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| Article PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D2L receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027080
(CHEMBL3335554)Show SMILES FC(F)(F)Oc1ccc(CN2CCO[C@H](CCc3ccccc3)C2)cc1 |r| Show InChI InChI=1S/C20H22F3NO2/c21-20(22,23)26-18-9-7-17(8-10-18)14-24-12-13-25-19(15-24)11-6-16-4-2-1-3-5-16/h1-5,7-10,19H,6,11-15H2/t19-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D2L receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158465
((4-hydroxy-3,5-diiodophenyl)(2-methylbenzofuran-3-...)Show InChI InChI=1S/C16H10I2O3/c1-8-14(10-4-2-3-5-13(10)21-8)15(19)9-6-11(17)16(20)12(18)7-9/h2-7,20H,1H3 | PDB MMDB
Reactome pathway KEGG
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| 7.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027072
(CHEMBL3335535)Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22) | PDB
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| 1.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158468
(CHEMBL390613 | cyclohexyl(2-methylbenzofuran-3-yl)...)Show InChI InChI=1S/C16H18O2/c1-11-15(13-9-5-6-10-14(13)18-11)16(17)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50158461
((2,6-dichloropyridin-4-yl)(2-ethylbenzofuran-3-yl)...)Show InChI InChI=1S/C16H11Cl2NO2/c1-2-11-15(10-5-3-4-6-12(10)21-11)16(20)9-7-13(17)19-14(18)8-9/h3-8H,2H2,1H3 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington State University
Curated by ChEMBL
| Assay Description Inhibition of human CYP2C19 |
J Med Chem 47: 6768-76 (2004)
Article DOI: 10.1021/jm049605m BindingDB Entry DOI: 10.7270/Q29P3153 |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027074
(CHEMBL3335537)Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1 | PDB
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| 1.57E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(3) dopamine receptor
(Homo sapiens (Human)) | BDBM50027077
(CHEMBL3335536)Show SMILES C(Cc1ccccc1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| | PDB
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| 2.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D3 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027072
(CHEMBL3335535)Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22) | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D2 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50027074
(CHEMBL3335537)Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1 | PDB
KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D1 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50027077
(CHEMBL3335536)Show SMILES C(Cc1ccccc1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| | PDB
KEGG
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| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D1 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(1A) dopamine receptor
(Homo sapiens (Human)) | BDBM50027072
(CHEMBL3335535)Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22) | PDB
KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D1 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027077
(CHEMBL3335536)Show SMILES C(Cc1ccccc1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D2 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50027074
(CHEMBL3335537)Show SMILES C(Cc1ccccc1)[C@@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| Show InChI InChI=1S/C20H23N3O/c1-2-6-16(7-3-1)10-11-17-14-23(12-13-24-17)15-20-21-18-8-4-5-9-19(18)22-20/h1-9,17H,10-15H2,(H,21,22)/t17-/m1/s1 | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D2 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027077
(CHEMBL3335536)Show SMILES C(Cc1ccccc1)[C@H]1CN(Cc2nc3ccccc3[nH]2)CCO1 |r| | PDB
Reactome pathway KEGG
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| Article PubMed
| >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
Proteinase-activated receptor 4
(Homo sapiens (Human)) | BDBM50024253
(CHEMBL3334887)Show SMILES CCOC(=O)c1ccc(cc1)-c1cn(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C24H21NO2/c1-2-27-24(26)20-14-12-19(13-15-20)22-17-25(16-18-8-4-3-5-9-18)23-11-7-6-10-21(22)23/h3-15,17H,2,16H2,1H3 | UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 66 | n/a | n/a | n/a | n/a | n/a | n/a |
Northwest Agriculture& Forestry University
Curated by ChEMBL
| Assay Description Antagonist activity at PAR4 in PAR-4-AP-stimulated human platelets compound pretreated for 5 mins by fluorescent PAC1 integrin alpha2bb3 activation a... |
Bioorg Med Chem Lett 24: 4708-13 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.021 BindingDB Entry DOI: 10.7270/Q29P336C |
More data for this Ligand-Target Pair | |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50067207
(CHEMBL3304438)Show SMILES COc1ccc(cc1OC1CCN(C)CC1)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25) | PDB
Reactome pathway KEGG
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| Article PubMed
| n/a | n/a | 72 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of [3H]choline uptake at human choline transporter expressed in HEK293 cells preincubated for 15 mins followed by [3H]choline addition mea... |
Bioorg Med Chem Lett 26: 4637-4640 (2016)
Article DOI: 10.1016/j.bmcl.2016.08.062 BindingDB Entry DOI: 10.7270/Q27D2X2R |
More data for this Ligand-Target Pair | |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50067207
(CHEMBL3304438)Show SMILES COc1ccc(cc1OC1CCN(C)CC1)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C21H29N3O4/c1-14(2)18-12-17(28-23-18)13-22-21(25)15-5-6-19(26-4)20(11-15)27-16-7-9-24(3)10-8-16/h5-6,11-12,14,16H,7-10,13H2,1-4H3,(H,22,25) | PDB
Reactome pathway KEGG
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Similars
| Article PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]... |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |
D(4) dopamine receptor
(Homo sapiens (Human)) | BDBM50027081
(CHEMBL3335555)Show InChI InChI=1S/C19H23NO2/c21-18-9-6-17(7-10-18)14-20-12-13-22-19(15-20)11-8-16-4-2-1-3-5-16/h1-7,9-10,19,21H,8,11-15H2/t19-/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
Curated by ChEMBL
| Assay Description Inhibition of human dopamine D4 receptor |
ACS Med Chem Lett 5: 1060-4 (2014)
Article DOI: 10.1021/ml500267c BindingDB Entry DOI: 10.7270/Q2G44RWM |
More data for this Ligand-Target Pair | |
High affinity choline transporter 1
(Homo sapiens (Human)) | BDBM50067202
(CHEMBL1872483)Show SMILES COc1ccc(cc1OC1CCN(CC1)C(C)C)C(=O)NCc1cc(no1)C(C)C Show InChI InChI=1S/C23H33N3O4/c1-15(2)20-13-19(30-25-20)14-24-23(27)17-6-7-21(28-5)22(12-17)29-18-8-10-26(11-9-18)16(3)4/h6-7,12-13,15-16,18H,8-11,14H2,1-5H3,(H,24,27) | PDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University Medical Center
Curated by ChEMBL
| Assay Description Inhibition of human CHT Leu530Ala and Val531Ala mutant expressed in HEK293 cells assessed as remaining transporter activity in presence of 10 uM [3H]... |
Bioorg Med Chem Lett 25: 1757-60 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.058 BindingDB Entry DOI: 10.7270/Q24J0GTX |
More data for this Ligand-Target Pair | |