BDBM50194065 5-4-2-chloro-3,5-difluorophenoxy)phenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL215038
SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)cc2)s[nH]c1=O
InChI Key: InChIKey=QFALVDBMAMJJIS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194065 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)) | BDBM50194065
(5-4-2-chloro-3,5-difluorophenoxy)phenylamino)-3-hy...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17ClF2N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-11-2-4-12(5-3-11)29-14-7-10(21)6-13(22)16(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | 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 | 78 | n/a | n/a | n/a | n/a |
Valeant Pharmaceuticals Research & Development
Curated by ChEMBL
| Assay Description Inhibitory activity against MEK-1 |
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)) | BDBM50194065
(5-4-2-chloro-3,5-difluorophenoxy)phenylamino)-3-hy...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(F)cc(F)c3Cl)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C19H17ClF2N4O3S/c1-9(8-27)24-17(23)15-18(28)26-30-19(15)25-11-2-4-12(5-3-11)29-14-7-10(21)6-13(22)16(14)20/h2-7,9,25,27H,8H2,1H3,(H2,23,24)(H,26,28) | 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 | 37 | 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 | |