BDBM50194051 5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-morpholinoisothiazole-4-carboximidamide::CHEMBL214901
SMILES: NC(=NN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
InChI Key: InChIKey=IJORGGQZMMIYIS-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194051 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)) | BDBM50194051
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-m...)Show SMILES NC(=NN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C20H19Cl2N5O3S/c21-12-1-6-15(22)16(11-12)30-14-4-2-13(3-5-14)24-20-17(19(28)26-31-20)18(23)25-27-7-9-29-10-8-27/h1-6,11,24H,7-10H2,(H2,23,25)(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 | 47 | 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)) | BDBM50194051
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-m...)Show SMILES NC(=NN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:2.2| Show InChI InChI=1S/C20H19Cl2N5O3S/c21-12-1-6-15(22)16(11-12)30-14-4-2-13(3-5-14)24-20-17(19(28)26-31-20)18(23)25-27-7-9-29-10-8-27/h1-6,11,24H,7-10H2,(H2,23,25)(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 | 32 | 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 | |