BDBM257496 US9493441, 14-1

SMILES: CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1

InChI Key: InChIKey=FKASYNKGXXFXHN-OAHLLOKOSA-N

Data: 2 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 2 hits for monomerid = 257496   

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
GST-JAK2 (Homo sapiens (Human))	BDBM257496 (US9493441, 14-1) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1 |r| Show InChI InChI=1S/C17H19N5O3S/c1-26(24,25)13-6-4-12(5-7-13)20-17-14(16(19)23)10-22(21-17)15(8-9-18)11-2-3-11/h4-7,10-11,15H,2-3,8H2,1H3,(H2,19,23)(H,20,21)/t15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
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 US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair
GST-JAK1 (Homo sapiens (Human))	BDBM257496 (US9493441, 14-1) Show SMILES CS(=O)(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H](CC#N)C2CC2)cc1 |r| Show InChI InChI=1S/C17H19N5O3S/c1-26(24,25)13-6-4-12(5-7-13)20-17-14(16(19)23)10-22(21-17)15(8-9-18)11-2-3-11/h4-7,10-11,15H,2-3,8H2,1H3,(H2,19,23)(H,20,21)/t15-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia 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	25
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 US9493441 (2016) BindingDB Entry DOI: 10.7270/Q22J69S2
					More data for this Ligand-Target Pair