null

SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1cnn(C)c1

InChI Key: InChIKey=LHPGQZQGRVFJJY-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399611   

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))	BDBM399611 (US10323036, Compound I-55 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1cnn(C)c1 Show InChI InChI=1S/C22H23N7O3/c1-28-11-13(10-23-28)14-5-4-6-15(19(14)32-3)24-16-9-17(26-21(30)12-7-8-12)25-20-18(16)22(31)29(2)27-20/h4-6,9-12H,7-8H2,1-3H3,(H3,24,25,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.75	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))	BDBM399611 (US10323036, Compound I-55 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1cnn(C)c1 Show InChI InChI=1S/C22H23N7O3/c1-28-11-13(10-23-28)14-5-4-6-15(19(14)32-3)24-16-9-17(26-21(30)12-7-8-12)25-20-18(16)22(31)29(2)27-20/h4-6,9-12H,7-8H2,1-3H3,(H3,24,25,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.75	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))	BDBM399611 (US10323036, Compound I-55 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-c1cnn(C)c1 Show InChI InChI=1S/C22H23N7O3/c1-28-11-13(10-23-28)14-5-4-6-15(19(14)32-3)24-16-9-17(26-21(30)12-7-8-12)25-20-18(16)22(31)29(2)27-20/h4-6,9-12H,7-8H2,1-3H3,(H3,24,25,26,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	0.75	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