BDBM50175208 CHEMBL199816::N-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-4-hydroxyquinoline-2-carboxamide

SMILES: COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=JJUBDOVDJAHWMH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50175208   

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))	BDBM50175208 (CHEMBL199816 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H34N8O4/c1-43-27-16-19(6-7-24(27)37-32(42)25-17-26(41)22-4-2-3-5-23(22)36-25)29-28-30(33)34-18-35-31(28)40(38-29)21-8-12-39(13-9-21)20-10-14-44-15-11-20/h2-7,16-18,20-21H,8-15H2,1H3,(H,36,41)(H,37,42)(H2,33,34,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.18E+3	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))	BDBM50175208 (CHEMBL199816 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1cc(O)c2ccccc2n1)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C32H34N8O4/c1-43-27-16-19(6-7-24(27)37-32(42)25-17-26(41)22-4-2-3-5-23(22)36-25)29-28-30(33)34-18-35-31(28)40(38-29)21-8-12-39(13-9-21)20-10-14-44-15-11-20/h2-7,16-18,20-21H,8-15H2,1H3,(H,36,41)(H,37,42)(H2,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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