BDBM50194019 5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydroxypropoxy)-3-hydroxyisothiazole-4-carboximidamide::CHEMBL386469
SMILES: NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
InChI Key: InChIKey=KWLYBAALWYCPQF-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194019 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)) | BDBM50194019
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)Show SMILES NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C19H18Cl2N4O5S/c20-10-1-6-14(21)15(7-10)30-13-4-2-11(3-5-13)23-19-16(18(28)25-31-19)17(22)24-29-9-12(27)8-26/h1-7,12,23,26-27H,8-9H2,(H2,22,24)(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 56 | 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)) | BDBM50194019
(5-4-2,5-dichlorophenoxy)phenylamino)-N-2,3-dihydro...)Show SMILES NC(=NOCC(O)CO)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C19H18Cl2N4O5S/c20-10-1-6-14(21)15(7-10)30-13-4-2-11(3-5-13)23-19-16(18(28)25-31-19)17(22)24-29-9-12(27)8-26/h1-7,12,23,26-27H,8-9H2,(H2,22,24)(H,25,28) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 444 | 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 | |