BDBM50221560 4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1,2,4]triazin-3-ylamino)-N-isopropyl-N-(2-(pyrrolidin-1-yl)ethyl)benzenesulfonamide::CHEMBL250218::US8481536, 534
SMILES: CC(C)N(CCN1CCCC1)S(=O)(=O)c1ccc(Nc2nnc3cc(cc(C)c3n2)-c2cc(O)ccc2Cl)cc1
InChI Key: InChIKey=KDTFQAJYJIGSFS-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Tyrosine-protein kinase ABL1 (Homo sapiens (Human)) | BDBM50221560 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TargeGen, Inc. Curated by ChEMBL | Assay Description Inhibition of Abl | Bioorg Med Chem Lett 17: 5812-8 (2007) Article DOI: 10.1016/j.bmcl.2007.08.043 BindingDB Entry DOI: 10.7270/Q2M32VGM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human)) | BDBM50221560 (4-(7-(2-chloro-5-hydroxyphenyl)-5-methylbenzo[e][1...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | US Patent | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | 25 |
TargeGen, Inc. US Patent | Assay Description Testing of inhibition of kinases in vitro using luciferase-based assay from KinaseGlo, Promega Corp. | US Patent US8481536 (2013) BindingDB Entry DOI: 10.7270/Q2GB22PZ | |||||||||||
More data for this Ligand-Target Pair |