BDBM50175210 CHEMBL199438::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-5-chloro-1-methyl-1H-indole-2-carboxamide
SMILES: COc1cc(ccc1NC(=O)c1cc2cc(Cl)ccc2n1C)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12
InChI Key: InChIKey=NNOQJLWWECHQDJ-UHFFFAOYSA-N
Data: 3 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 Lck (Homo sapiens (Human)) | BDBM50175210 (CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 54 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibitory activity against lck | Bioorg Med Chem Lett 16: 118-22 (2005) Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Lck (Homo sapiens (Human)) | BDBM50175210 (CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibitory activity against anti-CD3 mAb-induced IL2 production in human whole blood | Bioorg Med Chem Lett 16: 118-22 (2005) Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tyrosine-protein kinase Fyn (Homo sapiens (Human)) | BDBM50175210 (CHEMBL199438 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Abbott Bioresearch Center Curated by ChEMBL | Assay Description Inhibitory activity against fyn | Bioorg Med Chem Lett 16: 118-22 (2005) Article DOI: 10.1016/j.bmcl.2005.09.039 BindingDB Entry DOI: 10.7270/Q22F7N07 | |||||||||||
More data for this Ligand-Target Pair |