BDBM237860 US9394282, 12-2::US9394282, 8-5

SMILES: NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N

InChI Key: InChIKey=WQMSPUQYWOPASK-TVQRCGJNSA-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 = 237860   

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))	BDBM237860 (US9394282, 12-2 | US9394282, 8-5) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N |r| Show InChI InChI=1S/C15H14FN5O3S/c16-10-1-3-11(4-2-10)19-15-12(14(18)22)6-21(20-15)13-8-25(23,24)7-9(13)5-17/h1-4,6,9,13H,7-8H2,(H2,18,22)(H,19,20)/t9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237860 (US9394282, 12-2 | US9394282, 8-5) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N |r| Show InChI InChI=1S/C15H14FN5O3S/c16-10-1-3-11(4-2-10)19-15-12(14(18)22)6-21(20-15)13-8-25(23,24)7-9(13)5-17/h1-4,6,9,13H,7-8H2,(H2,18,22)(H,19,20)/t9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM237860 (US9394282, 12-2 | US9394282, 8-5) Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N |r| Show InChI InChI=1S/C15H14FN5O3S/c16-10-1-3-11(4-2-10)19-15-12(14(18)22)6-21(20-15)13-8-25(23,24)7-9(13)5-17/h1-4,6,9,13H,7-8H2,(H2,18,22)(H,19,20)/t9-,13+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US9394282 (2016) BindingDB Entry DOI: 10.7270/Q2J10233
					More data for this Ligand-Target Pair