null

SMILES: CCc1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(c1)N(C)S(C)(=O)=O

InChI Key: InChIKey=PEOWFFBAFHVWSS-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399730   

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))	BDBM399730 (US10323036, Compound I-217 | US10793574, Compound ...) Show SMILES CCc1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(c1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O4S/c1-5-12-6-9-14(16(10-12)27(3)32(4,30)31)22-15-11-17(24-20(28)13-7-8-13)23-19-18(15)21(29)26(2)25-19/h6,9-11,13H,5,7-8H2,1-4H3,(H3,22,23,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<0.100	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))	BDBM399730 (US10323036, Compound I-217 | US10793574, Compound ...) Show SMILES CCc1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(c1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O4S/c1-5-12-6-9-14(16(10-12)27(3)32(4,30)31)22-15-11-17(24-20(28)13-7-8-13)23-19-18(15)21(29)26(2)25-19/h6,9-11,13H,5,7-8H2,1-4H3,(H3,22,23,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<0.100	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))	BDBM399730 (US10323036, Compound I-217 | US10793574, Compound ...) Show SMILES CCc1ccc(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)c(c1)N(C)S(C)(=O)=O Show InChI InChI=1S/C21H26N6O4S/c1-5-12-6-9-14(16(10-12)27(3)32(4,30)31)22-15-11-17(24-20(28)13-7-8-13)23-19-18(15)21(29)26(2)25-19/h6,9-11,13H,5,7-8H2,1-4H3,(H3,22,23,24,25,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<0.100	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