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SMILES: COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O

InChI Key: InChIKey=MOHTTWDJNFXGNR-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399662   

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))	BDBM399662 (US10323036, Compound I-106 | US10793574, Compound ...) Show SMILES COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O Show InChI InChI=1S/C21H20FN7O3/c1-10-7-15(24-9-12(10)22)26-16-8-14(17-20(27-16)28-29(2)21(17)31)25-13-6-4-5-11(19(23)30)18(13)32-3/h4-9H,1-3H3,(H2,23,30)(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	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))	BDBM399662 (US10323036, Compound I-106 | US10793574, Compound ...) Show SMILES COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O Show InChI InChI=1S/C21H20FN7O3/c1-10-7-15(24-9-12(10)22)26-16-8-14(17-20(27-16)28-29(2)21(17)31)25-13-6-4-5-11(19(23)30)18(13)32-3/h4-9H,1-3H3,(H2,23,30)(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	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))	BDBM399662 (US10323036, Compound I-106 | US10793574, Compound ...) Show SMILES COc1c(Nc2cc(Nc3cc(C)c(F)cn3)nc3[nH]n(C)c(=O)c23)cccc1C(N)=O Show InChI InChI=1S/C21H20FN7O3/c1-10-7-15(24-9-12(10)22)26-16-8-14(17-20(27-16)28-29(2)21(17)31)25-13-6-4-5-11(19(23)30)18(13)32-3/h4-9H,1-3H3,(H2,23,30)(H3,24,25,26,27,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	5.5	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