BDBM50194018 3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-2-phenylpropan-2-yl)phenylamino)isothiazole-4-carboximidamide::CHEMBL385703
SMILES: CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(C)(C)c2ccccc2)s[nH]c1=O
InChI Key: InChIKey=CNFOJUNYPYUQSD-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194018 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)) | BDBM50194018
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-2-phenylprop...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(C)(C)c2ccccc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C22H26N4O2S/c1-14(13-27)24-19(23)18-20(28)26-29-21(18)25-17-11-9-16(10-12-17)22(2,3)15-7-5-4-6-8-15/h4-12,14,25,27H,13H2,1-3H3,(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
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 1.50E+3 | 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)) | BDBM50194018
(3-hydroxy-N-1-hydroxypropan-2-yl)-5-4-2-phenylprop...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(cc2)C(C)(C)c2ccccc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C22H26N4O2S/c1-14(13-27)24-19(23)18-20(28)26-29-21(18)25-17-11-9-16(10-12-17)22(2,3)15-7-5-4-6-8-15/h4-12,14,25,27H,13H2,1-3H3,(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
Similars
| Article PubMed
| n/a | n/a | 7.90E+3 | 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 | |