BDBM50328122 4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)benzamide::CHEMBL1258362
SMILES: NC(=O)c1ccc(Cn2ncc3c(Nc4ccc(OC(F)(F)F)cc4)ncnc23)cc1
InChI Key: InChIKey=LYPYSTQHYJMALD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Bcr-Abl (Homo sapiens (Human)) | BDBM50328122 (4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 598 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells | J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bcr-Abl (Homo sapiens (Human)) | BDBM50328122 (4-((4-(4-(trifluoromethoxy)phenylamino)-1H-pyrazol...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.89E+3 | n/a | n/a | n/a | n/a |
Harvard Medical School Curated by ChEMBL | Assay Description Inhibition of Bcr-Abl in mouse BA/F3 cells | J Med Chem 53: 6934-46 (2010) Article DOI: 10.1021/jm100555f BindingDB Entry DOI: 10.7270/Q2DJ5FTW | |||||||||||
More data for this Ligand-Target Pair |