BDBM99550 US8501936, 48

SMILES: CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(CS(C)(=O)=O)cc2)cc1

InChI Key: InChIKey=KPMKSQBHJBIPFP-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 = 99550   

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))	BDBM99550 (US8501936, 48) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(CS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C25H28N6O2S/c1-29-14-16-30(17-15-29)22-11-9-21(10-12-22)26-25-27-24-23(4-3-13-31(24)28-25)20-7-5-19(6-8-20)18-34(2,32)33/h3-13H,14-18H2,1-2H3,(H,26,28)	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	1.72E+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))	BDBM99550 (US8501936, 48) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(CS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C25H28N6O2S/c1-29-14-16-30(17-15-29)22-11-9-21(10-12-22)26-25-27-24-23(4-3-13-31(24)28-25)20-7-5-19(6-8-20)18-34(2,32)33/h3-13H,14-18H2,1-2H3,(H,26,28)	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	1.5	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))	BDBM99550 (US8501936, 48) Show SMILES CN1CCN(CC1)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(CS(C)(=O)=O)cc2)cc1 Show InChI InChI=1S/C25H28N6O2S/c1-29-14-16-30(17-15-29)22-11-9-21(10-12-22)26-25-27-24-23(4-3-13-31(24)28-25)20-7-5-19(6-8-20)18-34(2,32)33/h3-13H,14-18H2,1-2H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.700	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