BDBM50402103 CHEMBL2206629

SMILES: CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1

InChI Key: InChIKey=QPGQYBKAZOTPAZ-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50402103   

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
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 kinase domain assessed as phosphorylation of N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Th...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	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	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50402103 (CHEMBL2206629) Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1C1CCCSC1 Show InChI InChI=1S/C15H19N5O2S2/c1-24(21,22)18-8-13-19-12-7-17-15-11(4-5-16-15)14(12)20(13)10-3-2-6-23-9-10/h4-5,7,10,18H,2-3,6,8-9H2,1H3,(H,16,17)	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	n/a	n/a	86	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of JAK1 in human TF1 cells assessed as inhibition of IL6-induced STAT3 phosphorylation incubated for 20 mins prior to IL6-induction measur...				Bioorg Med Chem Lett 22: 7627-33 (2012) Article DOI: 10.1016/j.bmcl.2012.10.008 BindingDB Entry DOI: 10.7270/Q2P55PPP
					More data for this Ligand-Target Pair