BDBM50194067 5-4-3-fluoro-5-trifluoromethyl)phenoxy)phenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL425980
SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(c3)C(F)(F)F)cc2)s[nH]c1=O
InChI Key: InChIKey=LONIKTNABVADEH-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194067 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)) | BDBM50194067
(5-4-3-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(c3)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-13-2-4-14(5-3-13)31-15-7-11(20(22,23)24)6-12(21)8-15/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30) | 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 | 140 | 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 | |
Dual specificity mitogen-activated protein kinase kinase 1
(Homo sapiens (Human)) | BDBM50194067
(5-4-3-fluoro-5-trifluoromethyl)phenoxy)phenylamino...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(c3)C(F)(F)F)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H18F4N4O3S/c1-10(9-29)26-17(25)16-18(30)28-32-19(16)27-13-2-4-14(5-3-13)31-15-7-11(20(22,23)24)6-12(21)8-15/h2-8,10,27,29H,9H2,1H3,(H2,25,26)(H,28,30) | 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 | 30 | 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 | |