BDBM50175198 CHEMBL198239::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-2-fluoro-4-(trifluoromethyl)benzamide

SMILES: COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=GEQAHGXLBPYTMU-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50175198   

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))	BDBM50175198 (CHEMBL198239 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H31F4N7O3/c1-43-24-14-17(2-5-23(24)38-29(42)21-4-3-18(15-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)20-6-10-40(11-7-20)19-8-12-44-13-9-19/h2-5,14-16,19-20H,6-13H2,1H3,(H,38,42)(H2,35,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	102	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 Fyn (Homo sapiens (Human))	BDBM50175198 (CHEMBL198239 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H31F4N7O3/c1-43-24-14-17(2-5-23(24)38-29(42)21-4-3-18(15-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)20-6-10-40(11-7-20)19-8-12-44-13-9-19/h2-5,14-16,19-20H,6-13H2,1H3,(H,38,42)(H2,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50175198 (CHEMBL198239 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1ccc(cc1F)C(F)(F)F)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C30H31F4N7O3/c1-43-24-14-17(2-5-23(24)38-29(42)21-4-3-18(15-22(21)31)30(32,33)34)26-25-27(35)36-16-37-28(25)41(39-26)20-6-10-40(11-7-20)19-8-12-44-13-9-19/h2-5,14-16,19-20H,6-13H2,1H3,(H,38,42)(H2,35,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	40	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