BDBM50175203 CHEMBL440213::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-cyano-1-methyl-1H-indole-2-carboxamide

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

InChI Key: InChIKey=BXDOISZIOCCOSD-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 = 50175203   

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))	BDBM50175203 (CHEMBL440213 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H35N9O3/c1-40-26-6-3-20(18-34)15-22(26)16-27(40)33(43)38-25-5-4-21(17-28(25)44-2)30-29-31(35)36-19-37-32(29)42(39-30)24-7-11-41(12-8-24)23-9-13-45-14-10-23/h3-6,15-17,19,23-24H,7-14H2,1-2H3,(H,38,43)(H2,35,36,37)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+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))	BDBM50175203 (CHEMBL440213 | N-(4-(4-amino-1-(1-(tetrahydro-2H-p...) Show SMILES COc1cc(ccc1NC(=O)c1cc2cc(ccc2n1C)C#N)-c1nn(C2CCN(CC2)C2CCOCC2)c2ncnc(N)c12 Show InChI InChI=1S/C33H35N9O3/c1-40-26-6-3-20(18-34)15-22(26)16-27(40)33(43)38-25-5-4-21(17-28(25)44-2)30-29-31(35)36-19-37-32(29)42(39-30)24-7-11-41(12-8-24)23-9-13-45-14-10-23/h3-6,15-17,19,23-24H,7-14H2,1-2H3,(H,38,43)(H2,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.25E+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