BDBM13351 3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)ethyl]-1H-indol-5-yl}benzamide::3-fluoro-5-morpholin-4-yl-N-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]benzamide::Indole derived fragment based inhibitor 23
SMILES: Fc1cc(cc(c1)C(=O)Nc1ccc2[nH]cc(CCc3ccncc3)c2c1)N1CCOCC1
InChI Key: InChIKey=HIUFYIOMUILESI-UHFFFAOYSA-N
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 |
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Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM13351 (3-fluoro-5-(morpholin-4-yl)-N-{3-[2-(pyridin-4-yl)...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | DrugBank MMDB PC cid PC sid PDB UniChem Patents | DrugBank MMDB PDB Article PubMed | n/a | n/a | 630 | n/a | n/a | n/a | n/a | 7.4 | 22 |
Astex | Assay Description IC50 is the inhibitor concentration, which inhibits 50% of kinase activity that catalyzes the transfer of the terminal phosphate from [gamma-33P] lab... | J Med Chem 48: 414-26 (2005) Article DOI: 10.1021/jm049575n BindingDB Entry DOI: 10.7270/Q26M352S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |