null

SMILES: CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F

InChI Key: InChIKey=YIGOMQBYGSPQIN-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 174037   

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 [861-1152] (Homo sapiens (Human))	BDBM174037 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)18-15(19(25)30)9-16(29(18)2)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [833-1187] (Homo sapiens (Human))	BDBM174037 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)18-15(19(25)30)9-16(29(18)2)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174037 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-N...) Show SMILES CCc1ccc(cc1-c1c(cc(-c2ncnc3[nH]ccc23)n1C)C(N)=O)C(F)(F)F |(6.04,-10.51,;5.63,-9.02,;6.72,-7.93,;8.21,-8.33,;9.3,-7.24,;8.9,-5.75,;7.41,-5.35,;6.32,-6.44,;4.84,-6.05,;4.36,-4.58,;2.82,-4.58,;2.34,-6.05,;.86,-6.44,;-.23,-5.35,;-1.72,-5.75,;-2.12,-7.24,;-1.03,-8.33,;-1.11,-9.87,;.33,-10.42,;1.3,-9.22,;.46,-7.93,;3.59,-6.95,;3.59,-8.49,;5.13,-3.25,;6.67,-3.25,;4.36,-1.91,;9.99,-4.66,;9.59,-3.18,;11.48,-5.06,;10.39,-6.15,)| Show InChI InChI=1S/C21H18F3N5O/c1-3-11-4-5-12(21(22,23)24)8-14(11)18-15(19(25)30)9-16(29(18)2)17-13-6-7-26-20(13)28-10-27-17/h4-10H,3H2,1-2H3,(H2,25,30)(H,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair