BDBM99559 CHEMBL2062808::US8501936, 57

SMILES: CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12

InChI Key: InChIKey=GYQHHRDRGBGZKH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 99559   

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))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.18E+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))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	47.6	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))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of JAK2 in human TF-1 cells using GM-CSF pretreated for 1 hr prior to GM-CSF addition measured after 5 hrs by FRET based GeneBLAzer assay				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK2 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of human JAK3 expressed in baculovirus using biotinyl-amino-hexanoyl-EQEDEPEGDYFEWLE-amide as substrate preincubated for 1 hr measured aft...				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM99559 (CHEMBL2062808 | US8501936, 57) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cccn2nc(Nc3cccc(c3)N3CCC(CC3)N3CCOCC3)nc12 Show InChI InChI=1S/C28H32N6O3S/c1-38(35,36)25-9-7-21(8-10-25)26-6-3-13-34-27(26)30-28(31-34)29-22-4-2-5-24(20-22)32-14-11-23(12-15-32)33-16-18-37-19-17-33/h2-10,13,20,23H,11-12,14-19H2,1H3,(H,29,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Cephalon, Inc. Curated by ChEMBL					Assay Description Inhibition of CYP3A4				J Med Chem 55: 5243-54 (2012) Article DOI: 10.1021/jm300248q BindingDB Entry DOI: 10.7270/Q2KH0PDQ
					More data for this Ligand-Target Pair