Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM329950'   

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))	BDBM329950 (US10463675, Example 33 | US10980815, Ex. No. 33 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM329950 (US10463675, Example 33 | US10980815, Ex. No. 33 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM329950 (US10463675, Example 33 | US10980815, Ex. No. 33 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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))	BDBM329950 (US10463675, Example 33 | US10980815, Ex. No. 33 | ...) Show SMILES CNC(=O)c1ncc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cc1C |r,THB:23:22:15.16.21:19.18| Show InChI InChI=1S/C22H25F2N7O2/c1-12-7-13(9-27-18(12)19(32)25-2)28-21-26-6-5-17(29-21)30-10-14-3-4-15(11-30)31(14)20(33)16-8-22(16,23)24/h5-7,9,14-16H,3-4,8,10-11H2,1-2H3,(H,25,32)(H,26,28,29)/t14-,15+,16-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	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