BDBM257459 US9493441, 7

SMILES: NC(=O)c1cn(nc1Nc1ccc2C(=O)NCc2c1)C(CC#N)C1CC1

InChI Key: InChIKey=KKVUDCRZNXVINY-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 = 257459   

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))	BDBM257459 (US9493441, 7) Show SMILES NC(=O)c1cn(nc1Nc1ccc2C(=O)NCc2c1)C(CC#N)C1CC1 Show InChI InChI=1S/C18H18N6O2/c19-6-5-15(10-1-2-10)24-9-14(16(20)25)17(23-24)22-12-3-4-13-11(7-12)8-21-18(13)26/h3-4,7,9-10,15H,1-2,5,8H2,(H2,20,25)(H,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	38	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))	BDBM257459 (US9493441, 7) Show SMILES NC(=O)c1cn(nc1Nc1ccc2C(=O)NCc2c1)C(CC#N)C1CC1 Show InChI InChI=1S/C18H18N6O2/c19-6-5-15(10-1-2-10)24-9-14(16(20)25)17(23-24)22-12-3-4-13-11(7-12)8-21-18(13)26/h3-4,7,9-10,15H,1-2,5,8H2,(H2,20,25)(H,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	2	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