BDBM50019897 CHEMBL3287196
SMILES: CC1(C)CCc2c(C1)[nH]nc2C(=O)Nc1cnn(c1)C(C1CN(CCF)C1)c1ccccc1
InChI Key: InChIKey=SDIIYFQWCHUACH-UHFFFAOYSA-N
Data: 1 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 ITK/TSK (Homo sapiens (Human)) | BDBM50019897 (CHEMBL3287196) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Therachem Research Medilab (India) Pvt. Ltd. Curated by ChEMBL | Assay Description Inhibition of ITK (unknown origin) using Acetyl-EFPIYDFLPAKKK-NH2 peptide as substrate after 1 hr by LC-MS analysis | ACS Med Chem Lett 5: 456-7 (2014) Article DOI: 10.1021/ml5000838 BindingDB Entry DOI: 10.7270/Q2W95BRP | |||||||||||
More data for this Ligand-Target Pair |