BDBM99596 US8501936, 95

SMILES: COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1

InChI Key: InChIKey=GNYIGMZJKXOFTL-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 = 99596   

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
Focal adhesion kinase 1 (Homo sapiens (Human))	BDBM99596 (US8501936, 95) Show SMILES COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1 Show InChI InChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM99596 (US8501936, 95) Show SMILES COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1 Show InChI InChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25.3	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99596 (US8501936, 95) Show SMILES COc1ccc(Nc2nc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)n3n2)cc1 Show InChI InChI=1S/C24H25N5O3S/c1-32-21-11-9-20(10-12-21)25-24-26-23-4-2-3-22(29(23)27-24)19-7-5-18(6-8-19)17-28-13-15-33(30,31)16-14-28/h2-12H,13-17H2,1H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. US Patent					Assay Description The ability of compounds to inhibit the kinase activity of baculovirus-expressed human FAK and JAK kinase using the time-resolved fluorescence (TRF) ...				US Patent US8501936 (2013) BindingDB Entry DOI: 10.7270/Q22Z1455
					More data for this Ligand-Target Pair