BDBM99689 US8501936, 190

SMILES: CS(=O)(=O)CCN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1

InChI Key: InChIKey=VAUHRGCAUAQDDS-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 = 99689   

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))	BDBM99689 (US8501936, 190) Show SMILES CS(=O)(=O)CCN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C27H31N5O4S2/c1-37(33,34)18-17-31-15-12-20(13-16-31)22-5-3-6-23(19-22)28-27-29-26-25(7-4-14-32(26)30-27)21-8-10-24(11-9-21)38(2,35)36/h3-11,14,19-20H,12-13,15-18H2,1-2H3,(H,28,30)	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	580	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))	BDBM99689 (US8501936, 190) Show SMILES CS(=O)(=O)CCN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C27H31N5O4S2/c1-37(33,34)18-17-31-15-12-20(13-16-31)22-5-3-6-23(19-22)28-27-29-26-25(7-4-14-32(26)30-27)21-8-10-24(11-9-21)38(2,35)36/h3-11,14,19-20H,12-13,15-18H2,1-2H3,(H,28,30)	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	27.3	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))	BDBM99689 (US8501936, 190) Show SMILES CS(=O)(=O)CCN1CCC(CC1)c1cccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)c1 Show InChI InChI=1S/C27H31N5O4S2/c1-37(33,34)18-17-31-15-12-20(13-16-31)22-5-3-6-23(19-22)28-27-29-26-25(7-4-14-32(26)30-27)21-8-10-24(11-9-21)38(2,35)36/h3-11,14,19-20H,12-13,15-18H2,1-2H3,(H,28,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.460	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