BDBM50194050 5-4-benzylphenylamino)-3-hydroxy-N-1-hydroxypropan-2-yl)isothiazole-4-carboximidamide::CHEMBL217310
SMILES: CC(CO)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O
InChI Key: InChIKey=ZTFDTHJKAMTRHZ-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194050 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)) | BDBM50194050
(5-4-benzylphenylamino)-3-hydroxy-N-1-hydroxypropan...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H22N4O2S/c1-13(12-25)22-18(21)17-19(26)24-27-20(17)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,23,25H,11-12H2,1H3,(H2,21,22)(H,24,26) | 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 | 58 | 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)) | BDBM50194050
(5-4-benzylphenylamino)-3-hydroxy-N-1-hydroxypropan...)Show SMILES CC(CO)N=C(N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O |w:4.3| Show InChI InChI=1S/C20H22N4O2S/c1-13(12-25)22-18(21)17-19(26)24-27-20(17)23-16-9-7-15(8-10-16)11-14-5-3-2-4-6-14/h2-10,13,23,25H,11-12H2,1H3,(H2,21,22)(H,24,26) | 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 | 130 | 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 | |