BDBM50233387 CHEMBL4082411
SMILES: Cn1nnc(n1)[C@H]1CCC[C@H](C1)c1nc(-c2ccc(cc2)C(=O)Nc2cc(ccn2)C(F)(F)F)c2c(N)nccn12
InChI Key: InChIKey=GMYXBUCICYTGIL-ZWKOTPCHSA-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 BTK (Homo sapiens (Human)) | BDBM50233387 (CHEMBL4082411) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co Inc Curated by ChEMBL | Assay Description Inhibition of BTK in human PBMC | Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase BTK (Homo sapiens (Human)) | BDBM50233387 (CHEMBL4082411) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck & Co Inc Curated by ChEMBL | Assay Description Inhibition of 6-His-tagged recombinant full length BTK (unknown origin) expressed in baculovirus-transfected Sf9 cells using Biotin-EQEDEPEGDYFEWLE-N... | Bioorg Med Chem Lett 27: 1471-1477 (2017) BindingDB Entry DOI: 10.7270/Q20867K5 | |||||||||||
More data for this Ligand-Target Pair |