Found 6 hits of ic50 for monomerid = 50024242 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Sodium channel protein type 9 subunit alpha
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.7 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w... |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C9 (unknown origin) using diclofenac substrate |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP3A4 (unknown origin) using midazolam substrate |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2D6 (unknown origin) using bufuralol substrate |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |
Sodium channel protein type 5 subunit alpha
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of human Nav1.5 expressed in HEK cells assessed as reduction in sodium current at -60 mV holding potential by PatchXpress platform based w... |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50024242
(CHEMBL3325551)Show SMILES Fc1cnc(NS(=O)(=O)c2cc(F)c(OC[C@H]3CNCC[C@@H]3c3ccc(Cl)cc3)cc2F)nc1 |r| Show InChI InChI=1S/C22H20ClF3N4O3S/c23-15-3-1-13(2-4-15)17-5-6-27-9-14(17)12-33-20-7-19(26)21(8-18(20)25)34(31,32)30-22-28-10-16(24)11-29-22/h1-4,7-8,10-11,14,17,27H,5-6,9,12H2,(H,28,29,30)/t14-,17-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Xenon Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of CYP2C19 (unknown origin) using omeprazole substrate |
Bioorg Med Chem Lett 24: 4397-401 (2014)
Article DOI: 10.1016/j.bmcl.2014.08.017 BindingDB Entry DOI: 10.7270/Q2FF3TX9 |
More data for this Ligand-Target Pair | |