Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043539 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 |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388008
(CHEMBL2058426)Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)12(14(21)20(15)3)7-9-8-18-11-6-4-5-10(16)13(9)11/h4-8,18H,1-3H3/b12-7+,17-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 591 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388016
(CHEMBL2058419)Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3cccc(Br)c23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-11(13(20)19(2)14(18)16)6-8-7-17-10-5-3-4-9(15)12(8)10/h3-7,16-17H,1-2H3/b11-6+,16-14? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 656 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388015
(CHEMBL1170237)Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3ccc(Br)cc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-12(13(20)19(2)14(18)16)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,16-17H,1-2H3/b12-5+,16-14? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388014
(CHEMBL2058420)Show SMILES CN1C(=N)N(C)\C(=C\c2c[nH]c3c(Br)cccc23)C1=O Show InChI InChI=1S/C14H13BrN4O/c1-18-11(13(20)19(2)14(18)16)6-8-7-17-12-9(8)4-3-5-10(12)15/h3-7,16-17H,1-2H3/b11-6+,16-14? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.22E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388009
(METHYLAPLYSINOPSIN)Show InChI InChI=1S/C15H16N4O/c1-16-15-18(2)13(14(20)19(15)3)8-10-9-17-12-7-5-4-6-11(10)12/h4-9,17H,1-3H3/b13-8+,16-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| 1.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388007
(CHEMBL2058427)Show SMILES C\N=C1/N(C)C(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C Show InChI InChI=1S/C15H15BrN4O/c1-17-15-19(2)13(14(21)20(15)3)6-9-8-18-12-5-4-10(16)7-11(9)12/h4-8,18H,1-3H3/b13-6+,17-15- | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.62E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50321885
((E)-5-((1H-Indol-3yl)methylene)-2-imino-1,3-dimeth...)Show InChI InChI=1S/C14H14N4O/c1-17-12(13(19)18(2)14(17)15)7-9-8-16-11-6-4-3-5-10(9)11/h3-8,15-16H,1-2H3/b12-7+,15-14? | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50387977
(CHEMBL2058415)Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3cccc(Br)c23)N1C Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)11(19(14)2)6-8-7-17-10-5-3-4-9(15)12(8)10/h3-7,17H,1-2H3,(H,16,18,20)/b11-6+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 5.92E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50388018
(CHEMBL2058416)Show SMILES C\N=C1/NC(=O)\C(=C/c2c[nH]c3ccc(Br)cc23)N1C Show InChI InChI=1S/C14H13BrN4O/c1-16-14-18-13(20)12(19(14)2)5-8-7-17-11-4-3-9(15)6-10(8)11/h3-7,17H,1-2H3,(H,16,18,20)/b12-5+ | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 6.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Mississippi
Curated by ChEMBL
| Assay Description Displacement of [3H]GR65630 from human recombinant 5HT3 receptor expressed in HEKT cells |
Bioorg Med Chem 21: 7083-90 (2013)
Article DOI: 10.1016/j.bmc.2013.09.011 BindingDB Entry DOI: 10.7270/Q2RJ4KXM |
More data for this Ligand-Target Pair | |