BDBM229416 US9328099, 40-31

SMILES: NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CCC(F)(F)CC1

InChI Key: InChIKey=GYSAXDBJNHZIQI-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 = 229416   

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))	BDBM229416 (US9328099, 40-31) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CCC(F)(F)CC1 |(.62,5.31,;-.47,4.22,;-1.96,4.62,;-.07,2.73,;-.98,1.49,;-.07,.24,;1.39,.72,;1.39,2.26,;2.73,3.03,;4.06,2.26,;4.06,.72,;5.39,-.05,;6.73,.72,;6.73,2.26,;5.39,3.03,;8.06,-.05,;9.4,.72,;9.4,-.82,;8.06,-1.59,;9.4,-2.36,;6.73,-2.36,;-.47,-1.25,;.62,-2.33,;.22,-3.82,;-.18,-5.31,;-1.56,-.16,;-3.05,-.56,;-3.45,-2.04,;-2.36,-3.13,;-.87,-2.73,;-4.93,-2.44,;-6.02,-1.35,;-7.51,-1.75,;-7.91,-3.24,;-9.4,-2.84,;-9,-4.33,;-6.82,-4.33,;-5.33,-3.93,)| Show InChI InChI=1S/C24H28F4N6O3S/c25-22(26)38(36,37)18-3-1-16(2-4-18)31-21-19(20(30)35)15-34(32-21)23(9-12-29)7-5-17(6-8-23)33-13-10-24(27,28)11-14-33/h1-4,15,17,22H,5-11,13-14H2,(H2,30,35)(H,31,32)	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))	BDBM229416 (US9328099, 40-31) Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)F)C1(CC#N)CCC(CC1)N1CCC(F)(F)CC1 |(.62,5.31,;-.47,4.22,;-1.96,4.62,;-.07,2.73,;-.98,1.49,;-.07,.24,;1.39,.72,;1.39,2.26,;2.73,3.03,;4.06,2.26,;4.06,.72,;5.39,-.05,;6.73,.72,;6.73,2.26,;5.39,3.03,;8.06,-.05,;9.4,.72,;9.4,-.82,;8.06,-1.59,;9.4,-2.36,;6.73,-2.36,;-.47,-1.25,;.62,-2.33,;.22,-3.82,;-.18,-5.31,;-1.56,-.16,;-3.05,-.56,;-3.45,-2.04,;-2.36,-3.13,;-.87,-2.73,;-4.93,-2.44,;-6.02,-1.35,;-7.51,-1.75,;-7.91,-3.24,;-9.4,-2.84,;-9,-4.33,;-6.82,-4.33,;-5.33,-3.93,)| Show InChI InChI=1S/C24H28F4N6O3S/c25-22(26)38(36,37)18-3-1-16(2-4-18)31-21-19(20(30)35)15-34(32-21)23(9-12-29)7-5-17(6-8-23)33-13-10-24(27,28)11-14-33/h1-4,15,17,22H,5-11,13-14H2,(H2,30,35)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 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