BDBM229200 US9328099, 30-27

SMILES: NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F

InChI Key: InChIKey=AKEWGBHTHRSCQD-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 = 229200   

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))	BDBM229200 (US9328099, 30-27) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F Show InChI InChI=1S/C19H20F3N7O3/c20-14(21)11-32-18(31)28-7-3-19(2-5-23,4-8-28)29-10-13(16(24)30)17(27-29)26-12-1-6-25-15(22)9-12/h1,6,9-10,14H,2-4,7-8,11H2,(H2,24,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM229200 (US9328099, 30-27) Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)C1(CC#N)CCN(CC1)C(=O)OCC(F)F Show InChI InChI=1S/C19H20F3N7O3/c20-14(21)11-32-18(31)28-7-3-19(2-5-23,4-8-28)29-10-13(16(24)30)17(27-29)26-12-1-6-25-15(22)9-12/h1,6,9-10,14H,2-4,7-8,11H2,(H2,24,30)(H,25,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 reactions employed a common peptide substrate, LCB-EQEDEPEGDYFEWLW-NH2 (in-house). The basic assay protocol is as follows: First, 250 nL of dilut...				US Patent US9328099 (2016) BindingDB Entry DOI: 10.7270/Q2M61J42
					More data for this Ligand-Target Pair