BDBM99611 CHEMBL2062801::US8501936, 112

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

InChI Key: InChIKey=WSPIZPODLJKULH-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 = 99611   

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))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	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	531	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))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.30	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))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	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	118	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))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	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	1.30	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))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	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	105	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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM99611 (CHEMBL2062801 | US8501936, 112) Show SMILES CS(=O)(=O)c1ccc(Nc2nc3c(cccn3n2)-c2ccc(cc2)S(C)(=O)=O)cc1 Show InChI InChI=1S/C20H18N4O4S2/c1-29(25,26)16-9-5-14(6-10-16)18-4-3-13-24-19(18)22-20(23-24)21-15-7-11-17(12-8-15)30(2,27)28/h3-13H,1-2H3,(H,21,23)	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	81.3	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