Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM330002'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US9663526 (2017) BindingDB Entry DOI: 10.7270/Q2CV4KVD
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10463675 (2019) BindingDB Entry DOI: 10.7270/Q2VT1VGN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 M...				Citation and Details BindingDB Entry DOI: 10.7270/Q2PC35J0
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assay				J Med Chem 61: 8597-8612 (2018) Article DOI: 10.1021/acs.jmedchem.8b00917 BindingDB Entry DOI: 10.7270/Q20C507F
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Compounds were added to a 384-well plate. Reaction mixtures contained 10 mM HEPES, pH 7.4, 10 mM MgCl2, 0.01% BSA, 0.0005% Tween 20, 1 mM ATP and 1 &...				US Patent US10980815 (2021) BindingDB Entry DOI: 10.7270/Q2XD14SG
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM330002 (US10463675, Example 85 | US10980815, Ex. No. 85 | ...) Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1 |r,THB:19:18:11.12.17:15.14| Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assay				J Med Chem 61: 8597-8612 (2018) Article DOI: 10.1021/acs.jmedchem.8b00917 BindingDB Entry DOI: 10.7270/Q20C507F
					More data for this Ligand-Target Pair