BDBM50142882 Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-amine::CHEMBL41910::N-butyl-1-(2-chloro-2-phenylethyl)-6-(ethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILES: CCCCNc1nc(SCC)nc2n(CC(Cl)c3ccccc3)ncc12
InChI Key: InChIKey=RIIKNMAPWOLEED-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 |
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Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50142882 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of recombinant wild type c-ABL (unknown origin) after 5 mins by scintillation counting analysis in presence of [gamma32P]ATP | ACS Med Chem Lett 4: 622-6 (2013) Article DOI: 10.1021/ml4000782 BindingDB Entry DOI: 10.7270/Q2PG1T4R | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50142882 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 600 | 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 Inhibitory activity against Src in cell free assay | J Med Chem 49: 1549-61 (2006) Article DOI: 10.1021/jm050603r BindingDB Entry DOI: 10.7270/Q27H1J6N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50142882 (Butyl-[1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of c-Src | Eur J Med Chem 44: 990-1000 (2009) Article DOI: 10.1016/j.ejmech.2008.07.002 BindingDB Entry DOI: 10.7270/Q2ZC8434 | |||||||||||
More data for this Ligand-Target Pair |