BDBM257438 US9493441, 4-22

SMILES: CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1

InChI Key: InChIKey=GVRDNZLPZRNVJE-UHFFFAOYSA-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 = 257438   

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))	BDBM257438 (US9493441, 4-22) Show SMILES CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C19H22N6O2/c1-24(2)19(27)13-5-7-14(8-6-13)22-18-15(17(21)26)11-25(23-18)16(9-10-20)12-3-4-12/h5-8,11-12,16H,3-4,9H2,1-2H3,(H2,21,26)(H,22,23)	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	16	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))	BDBM257438 (US9493441, 4-22) Show SMILES CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C19H22N6O2/c1-24(2)19(27)13-5-7-14(8-6-13)22-18-15(17(21)26)11-25(23-18)16(9-10-20)12-3-4-12/h5-8,11-12,16H,3-4,9H2,1-2H3,(H2,21,26)(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	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