BDBM50253150 CHEMBL493496::N,6-Dimethyl-7-(1-((R)-3-methylmorpholino)phthalazin-6-yl)-benzo[d]isoxazol-3-amine
SMILES: CNc1noc2c(c(C)ccc12)-c1ccc2c(nncc2c1)N1CCOC[C@H]1C
InChI Key: InChIKey=RXQPWAXTLUQACC-CQSZACIVSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50253150 (CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of human recombinant GST-tagged p38alphaMAPK-induced ATF2 phosphorylation | J Med Chem 51: 6280-92 (2008) Article DOI: 10.1021/jm8005405 BindingDB Entry DOI: 10.7270/Q218369B | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50253150 (CHEMBL493496 | N,6-Dimethyl-7-(1-((R)-3-methylmorp...) | 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 | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of CYP3A4 in human liver microsomes | J Med Chem 51: 6280-92 (2008) Article DOI: 10.1021/jm8005405 BindingDB Entry DOI: 10.7270/Q218369B | |||||||||||
More data for this Ligand-Target Pair |