Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2' and Ligand = 'BDBM325506'   

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))	BDBM325506 ((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)| Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325506 ((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)| Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
ARRAY BIOPHARMA INC.; CELGENE CORPORATION US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US11028093 (2021) BindingDB Entry DOI: 10.7270/Q2T156RN
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325506 ((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)| Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc.; Celgene Corporation US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10730880 (2020) BindingDB Entry DOI: 10.7270/Q2CC13R9
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM325506 ((1s,3s)-3-(4-(4-(1-(pentan- 3-yl)-1H-pyrazol-4- yl...) Show SMILES CCC(CC)n1cc(cn1)-c1nc(cn2nccc12)-c1cnn(c1)C1C[C@@H](C1)C(N)=O |r,wU:26.32,(.75,4.49,;-.33,3.4,;-1.82,3.8,;-2.22,5.29,;-1.13,6.38,;-2.91,2.71,;-2.43,1.25,;-3.68,.34,;-4.93,1.25,;-4.45,2.71,;-3.68,-1.2,;-2.35,-1.97,;-2.35,-3.51,;-3.68,-4.28,;-5.01,-3.51,;-6.48,-3.98,;-7.38,-2.74,;-6.48,-1.49,;-5.01,-1.97,;-1.01,-4.28,;-1.01,-5.82,;.45,-6.29,;1.36,-5.05,;.45,-3.8,;2.9,-5.05,;3.99,-6.13,;5.07,-5.05,;3.99,-3.96,;6.61,-5.05,;7.38,-6.38,;7.38,-3.71,)| Show InChI InChI=1S/C22H26N8O/c1-3-17(4-2)28-12-16(10-26-28)21-20-5-6-24-30(20)13-19(27-21)15-9-25-29(11-15)18-7-14(8-18)22(23)31/h5-6,9-14,17-18H,3-4,7-8H2,1-2H3,(H2,23,31)/t14-,18?	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Array BioPharma Inc. US Patent					Assay Description Compounds of Formula I were screened for their ability to inhibit Tyk2 using the general enzyme inhibition assay method, in which the assay mixture c...				US Patent US10189845 (2019) BindingDB Entry DOI: 10.7270/Q2Z03B7Q
					More data for this Ligand-Target Pair