BDBM50194016 3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-3-trifluoromethyl)phenoxy)phenylamino)isothiazole-4-carboximidamide::CHEMBL265478
SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)s[nH]c1=O
InChI Key: InChIKey=LECZVUDPEPTPPX-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194016 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194016
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-3-trifluorom...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H19F3N4O3S/c1-11(10-28)25-17(24)16-18(29)27-31-19(16)26-13-5-7-14(8-6-13)30-15-4-2-3-12(9-15)20(21,22)23/h2-9,11,26,28H,10H2,1H3,(H2,24,25)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 140 | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this Ligand-Target Pair | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194016
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-3-trifluorom...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cccc(c3)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H19F3N4O3S/c1-11(10-28)25-17(24)16-18(29)27-31-19(16)26-13-5-7-14(8-6-13)30-15-4-2-3-12(9-15)20(21,22)23/h2-9,11,26,28H,10H2,1H3,(H2,24,25)(H,27,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description Inhibition of MEK-1 activity |
Bioorg Med Chem Lett 16: 5561-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.08.048 BindingDB Entry DOI: 10.7270/Q2J38S5D |
More data for this Ligand-Target Pair | |