BDBM229385 US9328099, 38-45

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N

InChI Key: InChIKey=JOZPVZZAGAGVLD-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 = 229385   

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))	BDBM229385 (US9328099, 38-45) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C26H23F3N8O4S/c27-26(28,29)42(40,41)20-7-5-18(6-8-20)33-23-21(22(32)38)16-37(35-23)25(9-12-30)10-13-36(14-11-25)24(39)34-19-3-1-17(15-31)2-4-19/h1-8,16H,9-11,13-14H2,(H2,32,38)(H,33,35)(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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))	BDBM229385 (US9328099, 38-45) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)C1(CC#N)CCN(CC1)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C26H23F3N8O4S/c27-26(28,29)42(40,41)20-7-5-18(6-8-20)33-23-21(22(32)38)16-37(35-23)25(9-12-30)10-13-36(14-11-25)24(39)34-19-3-1-17(15-31)2-4-19/h1-8,16H,9-11,13-14H2,(H2,32,38)(H,33,35)(H,34,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	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