BDBM50212761 1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(oxazole-5-carboxamido)-1H-benzo[d]imidazole-5-carboxamide::CHEMBL231747
SMILES: CN(C1CCCCC1)C(=O)c1ccc2n(CCC(N)=O)c(NC(=O)c3cnco3)nc2c1
InChI Key: InChIKey=YLWZWYDMYANSHU-UHFFFAOYSA-N
Data: 2 IC50
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 ITK/TSK (Homo sapiens (Human)) | BDBM50212761 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Effect on human ITK in DT40 cells assessed as induction of calcium influx by FLIPR assay | Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human)) | BDBM50212761 (1-(3-amino-3-oxopropyl)-N-cyclohexyl-N-methyl-2-(o...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 62 | n/a | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of human ITK by DELFIA assay | Bioorg Med Chem Lett 17: 3660-5 (2007) Article DOI: 10.1016/j.bmcl.2007.04.045 BindingDB Entry DOI: 10.7270/Q2CV4HF6 | |||||||||||
More data for this Ligand-Target Pair |