null

SMILES: COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-n1cccn1

InChI Key: InChIKey=QOLONIYRTLGRQU-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 399612   

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))	BDBM399612 (US10323036, Compound I-56 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-n1cccn1 Show InChI InChI=1S/C21H21N7O3/c1-27-21(30)17-14(11-16(24-19(17)26-27)25-20(29)12-7-8-12)23-13-5-3-6-15(18(13)31-2)28-10-4-9-22-28/h3-6,9-12H,7-8H2,1-2H3,(H3,23,24,25,26,29)	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))	BDBM399612 (US10323036, Compound I-56 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-n1cccn1 Show InChI InChI=1S/C21H21N7O3/c1-27-21(30)17-14(11-16(24-19(17)26-27)25-20(29)12-7-8-12)23-13-5-3-6-15(18(13)31-2)28-10-4-9-22-28/h3-6,9-12H,7-8H2,1-2H3,(H3,23,24,25,26,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [556-888] (Homo sapiens (Human))	BDBM399612 (US10323036, Compound I-56 | US10793574, Compound I...) Show SMILES COc1c(Nc2cc(NC(=O)C3CC3)nc3[nH]n(C)c(=O)c23)cccc1-n1cccn1 Show InChI InChI=1S/C21H21N7O3/c1-27-21(30)17-14(11-16(24-19(17)26-27)25-20(29)12-7-8-12)23-13-5-3-6-15(18(13)31-2)28-10-4-9-22-28/h3-6,9-12H,7-8H2,1-2H3,(H3,23,24,25,26,29)	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)
					More data for this Ligand-Target Pair