BDBM50194046 5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1-hydroxybutan-2-yl)isothiazole-4-carboximidamide::CHEMBL385059
SMILES: CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O
InChI Key: InChIKey=NUVVQXBPNPLGQY-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50194046 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)) | BDBM50194046
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:5.4| Show InChI InChI=1S/C20H20Cl2N4O3S/c1-2-12(10-27)24-18(23)17-19(28)26-30-20(17)25-13-4-6-14(7-5-13)29-16-9-11(21)3-8-15(16)22/h3-9,12,25,27H,2,10H2,1H3,(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 | 694 | 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)) | BDBM50194046
(5-4-2,5-dichlorophenoxy)phenylamino)-3-hydroxy-N-1...)Show SMILES CCC(CO)N=C(N)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O |w:5.4| Show InChI InChI=1S/C20H20Cl2N4O3S/c1-2-12(10-27)24-18(23)17-19(28)26-30-20(17)25-13-4-6-14(7-5-13)29-16-9-11(21)3-8-15(16)22/h3-9,12,25,27H,2,10H2,1H3,(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 | 40 | 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 | |