BDBM50252775 6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7-yl)-N-isopropylphthalazin-1-amine::CHEMBL495492
SMILES: CC(C)Nc1nncc2cc(ccc12)-c1c(C)ccc2c(NC3CC3)noc12
InChI Key: InChIKey=DYSGCGRDHIJLBK-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mitogen-activated protein kinase 14 (Homo sapiens (Human)) | BDBM50252775 (6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...) | 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 | 0.5 | 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 2D6 (Homo sapiens (Human)) | BDBM50252775 (6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 CYP2D6 (unknown origin) | 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)) | BDBM50252775 (6-(3-(cyclopropylamino)-6-methylbenzo[d]isoxazol-7...) | 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 | 5.60E+3 | 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 |