null

SMILES: CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1nc(N)ncc1-c1ccccc1

InChI Key: InChIKey=RTIRSFFZKVCTGL-AZZIRIGVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 410173   

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 [866-1154] (Homo sapiens (Human))	BDBM410173 (US10370375, Example 21) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1nc(N)ncc1-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,2.56,;-7.71,1.79,;-7.71,.25,;-6.38,-.52,)| Show InChI InChI=1S/C18H24N4O3S/c1-20-26(23,24)12-13-7-9-15(10-8-13)25-17-16(11-21-18(19)22-17)14-5-3-2-4-6-14/h2-6,11,13,15,20H,7-10,12H2,1H3,(H2,19,21,22)/t13-,15?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187] (Homo sapiens (Human))	BDBM410173 (US10370375, Example 21) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1nc(N)ncc1-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,2.56,;-7.71,1.79,;-7.71,.25,;-6.38,-.52,)| Show InChI InChI=1S/C18H24N4O3S/c1-20-26(23,24)12-13-7-9-15(10-8-13)25-17-16(11-21-18(19)22-17)14-5-3-2-4-6-14/h2-6,11,13,15,20H,7-10,12H2,1H3,(H2,19,21,22)/t13-,15?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [811-1124] (Homo sapiens (Human))	BDBM410173 (US10370375, Example 21) Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1nc(N)ncc1-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,2.56,;-7.71,1.79,;-7.71,.25,;-6.38,-.52,)| Show InChI InChI=1S/C18H24N4O3S/c1-20-26(23,24)12-13-7-9-15(10-8-13)25-17-16(11-21-18(19)22-17)14-5-3-2-4-6-14/h2-6,11,13,15,20H,7-10,12H2,1H3,(H2,19,21,22)/t13-,15?	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Elanco Tiergesundheit AG US Patent					Assay Description All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...				US Patent US10370375 (2019) BindingDB Entry DOI: 10.7270/Q2ZC857B
					More data for this Ligand-Target Pair