BDBM50224381 1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(methylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine::CHEMBL238559
SMILES: CSc1nc(Nc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
InChI Key: InChIKey=BEMGXQUJMOKYHT-UHFFFAOYSA-N
Data: 3 KI
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Genova Curated by ChEMBL | Assay Description Inhibition of human recombinant Abl by filter-binding assay | Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Genova Curated by ChEMBL | Assay Description Inhibition of human recombinant c-Src by filter-binding assay | Eur J Med Chem 43: 2665-76 (2008) Article DOI: 10.1016/j.ejmech.2008.01.034 BindingDB Entry DOI: 10.7270/Q23J3CS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50224381 (1-(2-chloro-2-phenylethyl)-N-(3-fluorophenyl)-6-(m...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant Src | J Med Chem 50: 5579-88 (2007) Article DOI: 10.1021/jm061449r BindingDB Entry DOI: 10.7270/Q2HX1CDW | |||||||||||
More data for this Ligand-Target Pair |