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SMILES: Cc1cc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc(C)n1

InChI Key: InChIKey=PRWKISJQUMTUPO-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399716   

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
Non-receptor tyrosine-protein kinase TYK2 [V731I] (Homo sapiens (Human))	BDBM399716 (US10323036, Compound I-199 | US10793574, Compound ...) Show SMILES Cc1cc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc(C)n1 Show InChI InChI=1S/C20H20ClN7O3S/c1-10-7-16(23-11(2)22-10)25-17-9-14(18-19(26-17)27-28(3)20(18)29)24-13-6-5-12(21)8-15(13)32(4,30)31/h5-9H,1-4H3,(H3,22,23,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Novartis Institute for Tropical Diseases					Assay Description Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...				Anal Biochem 395: 195-204 (2009) BindingDB Entry DOI: 10.7270/Q2X63Q9X
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399716 (US10323036, Compound I-199 | US10793574, Compound ...) Show SMILES Cc1cc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc(C)n1 Show InChI InChI=1S/C20H20ClN7O3S/c1-10-7-16(23-11(2)22-10)25-17-9-14(18-19(26-17)27-28(3)20(18)29)24-13-6-5-12(21)8-15(13)32(4,30)31/h5-9H,1-4H3,(H3,22,23,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The binding reaction was assembled by combining 16 μl of DNA-tagged kinase extract, 3.8 μl liganded affinity beads, and 0.18 μl test c...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P27291
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399716 (US10323036, Compound I-199 | US10793574, Compound ...) Show SMILES Cc1cc(Nc2cc(Nc3ccc(Cl)cc3S(C)(=O)=O)c3c(n2)[nH]n(C)c3=O)nc(C)n1 Show InChI InChI=1S/C20H20ClN7O3S/c1-10-7-16(23-11(2)22-10)25-17-9-14(18-19(26-17)27-28(3)20(18)29)24-13-6-5-12(21)8-15(13)32(4,30)31/h5-9H,1-4H3,(H3,22,23,24,25,26,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Binding constants for compounds of the present invention against the JH2 domain were determined by the following protocol for a KINOMEscan® assay (Di...				US Patent US10793574 (2020) BindingDB Entry DOI: 10.7270/Q2WM1HH6
					More data for this Ligand-Target Pair