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SMILES: COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1

InChI Key: InChIKey=SXEKBNFLXKEEMC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399757   

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))	BDBM399757 (US10323036, Compound VIII-5 | US10793574, Compound...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1 Show InChI InChI=1S/C22H22N8O4/c1-30-11-24-20(29-30)13-4-3-5-15(19(13)33-2)25-16-8-17(26-21(32)12-6-7-12)23-9-14(16)22-28-27-18(10-31)34-22/h3-5,8-9,11-12,31H,6-7,10H2,1-2H3,(H2,23,25,26,32)	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))	BDBM399757 (US10323036, Compound VIII-5 | US10793574, Compound...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1 Show InChI InChI=1S/C22H22N8O4/c1-30-11-24-20(29-30)13-4-3-5-15(19(13)33-2)25-16-8-17(26-21(32)12-6-7-12)23-9-14(16)22-28-27-18(10-31)34-22/h3-5,8-9,11-12,31H,6-7,10H2,1-2H3,(H2,23,25,26,32)	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))	BDBM399757 (US10323036, Compound VIII-5 | US10793574, Compound...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)ncc2-c2nnc(CO)o2)cccc1-c1ncn(C)n1 Show InChI InChI=1S/C22H22N8O4/c1-30-11-24-20(29-30)13-4-3-5-15(19(13)33-2)25-16-8-17(26-21(32)12-6-7-12)23-9-14(16)22-28-27-18(10-31)34-22/h3-5,8-9,11-12,31H,6-7,10H2,1-2H3,(H2,23,25,26,32)	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