BDBM50245854 CHEMBL504331::N3-(2,6-dichlorophenyl)-N6-(3-fluoro-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-1-(3-methoxy-3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
SMILES: COC(C)(C)CCn1nc(Nc2c(Cl)cccc2Cl)c2cnc(Nc3ccc(OCCN4CCCC4)c(F)c3)nc12
InChI Key: InChIKey=DVUHFGSLDSLHHD-UHFFFAOYSA-N
Data: 2 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 kinase non-receptor protein 2 (Homo sapiens (Human)) | BDBM50245854 (CHEMBL504331 | N3-(2,6-dichlorophenyl)-N6-(3-fluor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of histidine-tagged ACK1 (amino acids 117 to 489) (unknown origin) expressed in SF9 cells | Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine kinase non-receptor protein 2 (Homo sapiens (Human)) | BDBM50245854 (CHEMBL504331 | N3-(2,6-dichlorophenyl)-N6-(3-fluor...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc. Curated by ChEMBL | Assay Description Inhibition of flag-tagged ACK1 (unknown origin) autophosphorylation expressed in human 293 cells | Bioorg Med Chem Lett 18: 6352-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.092 BindingDB Entry DOI: 10.7270/Q2B56JKZ | |||||||||||
More data for this Ligand-Target Pair |