BDBM257452 US9493441, 4-36

SMILES: Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1

InChI Key: InChIKey=CVONRWKVNUUBNL-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 = 257452   

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))	BDBM257452 (US9493441, 4-36) Show SMILES Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C19H19N7O2/c1-11-22-19(28-25-11)13-4-6-14(7-5-13)23-18-15(17(21)27)10-26(24-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,23,24)	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	39	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))	BDBM257452 (US9493441, 4-36) Show SMILES Cc1noc(n1)-c1ccc(Nc2nn(cc2C(N)=O)C(CC#N)C2CC2)cc1 Show InChI InChI=1S/C19H19N7O2/c1-11-22-19(28-25-11)13-4-6-14(7-5-13)23-18-15(17(21)27)10-26(24-18)16(8-9-20)12-2-3-12/h4-7,10,12,16H,2-3,8H2,1H3,(H2,21,27)(H,23,24)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	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