BDBM50175206 CHEMBL199813::N2-(4-(4-amino-1-(1-(tetrahydro-2H-pyran-4-yl)piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)-1-methyl-1H-indole-2,5-dicarboxamide

SMILES: COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12

InChI Key: InChIKey=VDJRYZDEBNXNTO-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 = 50175206   

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 Fyn (Homo sapiens (Human))	BDBM50175206 (CHEMBL199813 | N2-(4-(4-amino-1-(1-(tetrahydro-2H-...) Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H37N9O4/c1-40-25-6-4-20(31(35)43)15-21(25)16-26(40)33(44)38-24-5-3-19(17-27(24)45-2)29-28-30(34)36-18-37-32(28)42(39-29)23-7-11-41(12-8-23)22-9-13-46-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H2,35,43)(H,38,44)(H2,34,36,37)	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
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50175206 (CHEMBL199813 | N2-(4-(4-amino-1-(1-(tetrahydro-2H-...) Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C(N)=O)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H37N9O4/c1-40-25-6-4-20(31(35)43)15-21(25)16-26(40)33(44)38-24-5-3-19(17-27(24)45-2)29-28-30(34)36-18-37-32(28)42(39-29)23-7-11-41(12-8-23)22-9-13-46-14-10-22/h3-6,15-18,22-23H,7-14H2,1-2H3,(H2,35,43)(H,38,44)(H2,34,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 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