Compile Data Set for Download or QSAR

Found 210 hits of ic50 for UniProtKB: P29597   

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 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493100 (1-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihy...) Show SMILES NC(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:17.19,(-6.64,2.83,;-5.1,2.83,;-4.33,4.17,;-4.33,1.5,;-2.79,1.5,;-2.02,.17,;-2.65,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.17,-4.58,;1.16,-3.81,;2.63,-4.29,;3.53,-3.04,;2.63,-1.8,;1.16,-2.27,;-.17,-1.5,;-.49,0,;.54,1.15,;2.05,.83,;3.08,1.97,;2.6,3.44,;3.63,4.58,;5.14,4.26,;6.64,3.94,;1.09,3.76,;.06,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493065 (2-((1r,4r)-4-(2-(2-Oxo-2-(4-(trifluoromethyl)piper...) Show SMILES FC(F)(F)C1CCN(CC1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.32,wD:25.28,(-7.9,-3.43,;-6.36,-3.43,;-5.59,-4.76,;-7.13,-4.76,;-5.59,-2.1,;-6.36,-.76,;-5.59,.57,;-4.05,.57,;-3.28,-.76,;-4.05,-2.1,;-3.28,1.9,;-4.05,3.24,;-1.74,1.9,;-.97,.57,;-1.59,-.84,;-.45,-1.87,;-.45,-3.41,;.89,-4.18,;2.22,-3.41,;3.68,-3.88,;4.59,-2.64,;3.68,-1.39,;2.22,-1.87,;.89,-1.1,;.57,.41,;1.65,1.5,;3.14,1.1,;4.23,2.19,;3.83,3.68,;4.92,4.76,;6.41,4.37,;7.9,3.97,;2.34,4.07,;1.26,2.99,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493101 (2-((1r,4r)-4-(2-(Thiazol-4-ylmethyl)imidazo[4,5-d]...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(Cc2cscn2)nc2cnc3[nH]ccc3c12 |r,wU:3.2,wD:6.9,(6.67,3.94,;5.17,4.26,;3.66,4.58,;2.63,3.44,;3.11,1.97,;2.08,.83,;.57,1.15,;.09,2.61,;1.12,3.76,;-.46,0,;-1.99,.17,;-2.76,1.5,;-4.3,1.5,;-5.21,2.74,;-6.67,2.27,;-6.67,.73,;-5.21,.25,;-2.62,-1.24,;-1.48,-2.27,;-1.48,-3.81,;-.14,-4.58,;1.19,-3.81,;2.66,-4.29,;3.56,-3.04,;2.66,-1.8,;1.19,-2.27,;-.14,-1.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493067 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1ccc(CC#N)cc1 |r,wU:18.21,wD:15.17,(-5.97,-1.63,;-5.2,-.29,;-3.66,-.29,;-2.89,-1.63,;-3.52,-3.03,;-2.37,-4.06,;-2.37,-5.6,;-1.04,-6.37,;.29,-5.6,;1.76,-6.08,;2.66,-4.83,;1.76,-3.59,;.29,-4.06,;-1.04,-3.29,;-1.36,-1.79,;-.27,-.7,;1.22,-1.1,;2.31,-.01,;1.91,1.48,;3,2.57,;4.48,2.17,;5.97,1.77,;.42,1.88,;-.67,.79,;-5.97,1.04,;-5.2,2.37,;-3.66,2.37,;-2.89,3.71,;-3.66,5.04,;-2.89,6.37,;-1.35,6.37,;.19,6.37,;-5.2,5.04,;-5.97,3.71,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493066 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OCc1ccc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:25.28,wD:22.24,(-9.44,1.61,;-8.67,.28,;-7.13,.28,;-6.36,1.61,;-4.82,1.61,;-4.05,.28,;-2.51,.28,;-1.74,1.61,;-2.51,2.94,;-.2,1.61,;.57,.28,;-.05,-1.13,;1.09,-2.16,;1.09,-3.7,;2.43,-4.47,;3.76,-3.7,;5.22,-4.18,;6.13,-2.93,;5.22,-1.69,;3.76,-2.16,;2.43,-1.39,;2.11,.12,;3.19,1.2,;4.68,.81,;5.77,1.89,;5.37,3.38,;6.46,4.47,;7.95,4.07,;9.44,3.67,;3.88,3.78,;2.8,2.69,;-4.82,-1.06,;-6.36,-1.06,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493281 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:19.22,wD:16.18,(-3.33,2.79,;-2.56,1.46,;-1.02,1.46,;-3.33,.12,;-2.56,-1.21,;-3.19,-2.62,;-2.04,-3.65,;-2.04,-5.19,;-.71,-5.96,;.63,-5.19,;2.09,-5.66,;3,-4.42,;2.09,-3.17,;.63,-3.65,;-.71,-2.88,;-1.03,-1.37,;.06,-.28,;1.55,-.68,;2.64,.41,;2.24,1.89,;3.33,2.98,;2.93,4.47,;2.53,5.96,;.75,2.29,;-.34,1.2,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387823 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,-.96,;-2.79,.37,;-1.25,.37,;-.48,-.96,;-1.11,-2.37,;.04,-3.4,;.04,-4.94,;1.37,-5.71,;2.7,-4.94,;4.17,-5.41,;5.07,-4.17,;4.17,-2.92,;2.7,-3.4,;1.37,-2.63,;1.05,-1.12,;2.08,.02,;3.59,-.3,;4.62,.85,;4.14,2.31,;5.17,3.46,;6.68,3.14,;8.18,2.82,;2.63,2.63,;1.6,1.49,;-3.56,1.71,;-5.1,1.71,;-5.87,3.04,;-5.1,4.37,;-5.87,5.71,;-7.41,5.71,;-8.18,4.37,;-7.41,3.04,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493070 (2-((1r,4r)-4-(2-(Oxazol-4-yl)imidazo[4,5-d]pyrrolo...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1cocn1 |r,wU:3.2,wD:6.9,(5.55,3.67,;4.06,4.07,;2.57,4.47,;1.48,3.38,;1.88,1.89,;.79,.81,;-.69,1.2,;-1.09,2.69,;-0,3.78,;-1.78,.12,;-3.31,.28,;-3.94,-1.13,;-2.8,-2.16,;-2.8,-3.7,;-1.46,-4.47,;-.13,-3.7,;1.34,-4.18,;2.24,-2.93,;1.34,-1.69,;-.13,-2.16,;-1.46,-1.39,;-4.08,1.61,;-5.55,2.09,;-5.55,3.63,;-4.08,4.1,;-3.18,2.86,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493269 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:17.19,(-6.74,2.94,;-5.2,2.94,;-4.43,1.61,;-5.2,.28,;-2.89,1.61,;-2.12,.28,;-2.75,-1.13,;-1.6,-2.16,;-1.6,-3.7,;-.27,-4.47,;1.06,-3.7,;2.53,-4.18,;3.43,-2.93,;2.53,-1.69,;1.06,-2.16,;-.27,-1.39,;-.59,.12,;.5,1.2,;1.99,.81,;3.08,1.89,;2.68,3.38,;3.77,4.47,;5.25,4.07,;6.74,3.67,;1.19,3.78,;.1,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493156 ((EZ)—N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl...) Show SMILES O\N=C(/CC1CCCCC1)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:24.27,(-3.59,5.04,;-2.81,3.72,;-3.56,2.38,;-5.1,2.38,;-5.87,1.04,;-7.41,1.04,;-8.18,-.29,;-7.41,-1.63,;-5.87,-1.63,;-5.1,-.29,;-2.78,1.05,;-1.24,1.05,;-.48,-.29,;-1.11,-1.69,;.03,-2.73,;.02,-4.27,;1.35,-5.04,;2.69,-4.28,;4.15,-4.76,;5.06,-3.52,;4.16,-2.27,;2.7,-2.74,;1.37,-1.96,;1.05,-.46,;2.09,.68,;3.59,.36,;4.63,1.5,;4.16,2.96,;5.19,4.1,;6.7,3.78,;8.18,3.42,;2.65,3.29,;1.62,2.15,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493076 ((E)-N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-...) Show SMILES O\N=C(\NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:20.23,wD:17.19,(-4.18,15.1,;-3.41,13.76,;-4.18,12.43,;-3.41,11.1,;-1.87,11.1,;-1.1,9.76,;-1.73,8.36,;-.59,7.32,;-.6,5.78,;.73,5.01,;2.07,5.77,;3.53,5.29,;4.44,6.53,;3.54,7.78,;2.08,7.31,;.75,8.09,;.43,9.59,;1.52,10.68,;3.01,10.29,;4.1,11.37,;3.7,12.86,;4.79,13.95,;6.28,13.55,;7.76,13.15,;2.21,13.26,;1.12,12.17,;-5.72,12.43,;-6.49,13.76,;-8.03,13.76,;-8.8,12.43,;-8.03,11.1,;-6.49,11.1,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493071 (2-((1r,4r)-4-(2-(2-(4-Hydroxypiperidin-1-yl)-2-oxo...) Show SMILES OC1CCN(CC1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.29,wD:22.25,(-7.13,-3.72,;-6.36,-2.39,;-7.13,-1.06,;-6.36,.28,;-4.82,.28,;-4.05,-1.06,;-4.82,-2.39,;-4.05,1.61,;-4.82,2.94,;-2.51,1.61,;-1.74,.28,;-2.36,-1.13,;-1.22,-2.16,;-1.22,-3.7,;.12,-4.47,;1.45,-3.7,;2.91,-4.18,;3.82,-2.93,;2.91,-1.69,;1.45,-2.16,;.12,-1.39,;-.2,.12,;.88,1.2,;2.37,.81,;3.46,1.89,;3.06,3.38,;4.15,4.47,;5.64,4.07,;7.13,3.67,;1.57,3.78,;.49,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387828 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1cc[nH]n1 |r,wU:18.21,wD:15.17,(-3.92,.17,;-3.15,1.5,;-1.61,1.5,;-.84,.17,;-1.46,-1.24,;-.32,-2.27,;-.32,-3.81,;1.01,-4.58,;2.35,-3.81,;3.81,-4.29,;4.72,-3.04,;3.81,-1.8,;2.35,-2.27,;1.01,-1.5,;.69,0,;1.72,1.15,;3.23,.83,;4.26,1.97,;3.78,3.44,;4.82,4.58,;6.32,4.26,;7.83,3.94,;2.28,3.76,;1.25,2.61,;-3.92,2.83,;-5.46,2.83,;-6.36,4.08,;-7.83,3.6,;-7.83,2.06,;-6.36,1.59,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387819 (2-((1r,4r)-4-(2-(1H-Imidazol-4-yl)imidazo[4,5-d]py...) Show SMILES N#CC[C@H]1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |r,wU:3.2,(5.45,3.94,;3.94,4.26,;2.44,4.58,;1.41,3.44,;1.88,1.97,;.85,.83,;-.65,1.15,;-1.13,2.61,;-.1,3.76,;-1.68,0,;-3.22,.17,;-3.84,-1.24,;-2.7,-2.27,;-2.7,-3.81,;-1.36,-4.58,;-.03,-3.81,;1.43,-4.29,;2.34,-3.04,;1.43,-1.8,;-.03,-2.27,;-1.36,-1.5,;-3.99,1.5,;-5.45,1.97,;-5.45,3.51,;-3.99,3.99,;-3.08,2.74,)| Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-17-14-6-8-22-18(14)23-10-15(17)25-19(26)16-9-21-11-24-16/h6,8-13H,1-5H2/b19-16-/t12-,13?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493068 (2-((1r,4r)-4-(2-(1H-1,2,4-Triazol-3-yl)imidazo[4,5...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1nc[nH]n1 |r,wU:3.2,wD:6.9,(5.55,3.67,;4.06,4.07,;2.57,4.47,;1.48,3.38,;1.88,1.89,;.79,.81,;-.69,1.2,;-1.09,2.69,;-0,3.78,;-1.78,.12,;-3.31,.28,;-3.94,-1.13,;-2.8,-2.16,;-2.8,-3.7,;-1.46,-4.47,;-.13,-3.7,;1.34,-4.18,;2.24,-2.93,;1.34,-1.69,;-.13,-2.16,;-1.46,-1.39,;-4.08,1.61,;-3.18,2.86,;-4.08,4.1,;-5.55,3.63,;-5.55,2.09,)| Show InChI InChI=1S/C18H16N8/c19-7-5-11-1-3-12(4-2-11)26-15-13-6-8-20-16(13)21-9-14(15)24-18(26)17-22-10-23-25-17/h6,8-12H,1-5H2/b18-17+/t11-,12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493090 (N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihy...) Show SMILES N=C(NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:19.22,wD:16.18,(-2.79,4.17,;-3.56,2.83,;-2.79,1.5,;-1.25,1.5,;-.48,.17,;-1.11,-1.24,;.04,-2.27,;.04,-3.81,;1.37,-4.58,;2.7,-3.81,;4.17,-4.29,;5.07,-3.04,;4.17,-1.8,;2.7,-2.27,;1.37,-1.5,;1.05,0,;2.08,1.15,;3.59,.83,;4.62,1.97,;4.14,3.44,;5.17,4.58,;6.68,4.26,;8.18,3.94,;2.63,3.76,;1.6,2.61,;-5.1,2.83,;-5.87,4.17,;-7.41,4.17,;-8.18,2.83,;-7.41,1.5,;-5.87,1.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493080 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Nc1ccccc1 |r,wU:18.21,wD:15.17,(-3.66,.28,;-2.89,1.62,;-1.35,1.62,;-.58,.28,;-1.21,-1.12,;-.07,-2.16,;-.08,-3.7,;1.25,-4.47,;2.59,-3.71,;4.05,-4.19,;4.96,-2.95,;4.06,-1.7,;2.59,-2.17,;1.26,-1.39,;.95,.12,;2.04,1.2,;3.53,.81,;4.62,1.9,;4.22,3.38,;5.31,4.47,;6.79,4.07,;8.28,3.67,;2.73,3.78,;1.64,2.69,;-3.66,2.95,;-5.2,2.95,;-5.97,4.28,;-7.51,4.28,;-8.28,2.95,;-7.51,1.62,;-5.97,1.62,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493096 (N-((1H-imidazol-2-yl)methyl)-2-(1-((1r,4r)-4-(cyan...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ncc[nH]1 |r,wU:18.21,wD:15.17,(-3.79,2.83,;-3.02,1.5,;-1.48,1.5,;-.71,.17,;-1.34,-1.24,;-.19,-2.27,;-.19,-3.81,;1.14,-4.58,;2.47,-3.81,;3.94,-4.29,;4.84,-3.04,;3.94,-1.8,;2.47,-2.27,;1.14,-1.5,;.82,0,;1.85,1.15,;3.36,.83,;4.39,1.97,;3.91,3.44,;4.94,4.58,;6.45,4.26,;7.95,3.94,;2.4,3.76,;1.37,2.61,;-3.79,.17,;-5.33,.17,;-6.1,-1.17,;-5.48,-2.58,;-6.62,-3.61,;-7.95,-2.84,;-7.63,-1.33,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387821 (N-(2-Cyanoethyl)-2-(1-((1r,4r)-4-(cyanomethyl)cycl...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCCC#N |r,wU:18.21,wD:15.17,(-3.18,.17,;-2.41,1.5,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-3.18,2.83,;-4.72,2.83,;-5.49,4.17,;-7.03,4.17,;-8.57,4.17,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493150 (2-((1r,4r)-4-(2-(2-Oxo-2-(piperidin-1-yl)ethyl)imi...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCCCC1 |r,wU:18.21,wD:15.17,(.11,1.47,;-1.43,1.57,;-2.28,.29,;-1.6,-1.09,;-2.32,-2.45,;-1.25,-3.56,;-1.35,-5.09,;-.07,-5.95,;1.32,-5.27,;2.75,-5.84,;3.73,-4.66,;2.91,-3.35,;1.42,-3.73,;.14,-2.88,;-.09,-1.35,;1.02,-.28,;2.5,-.7,;3.6,.38,;3.22,1.87,;4.33,2.95,;3.95,4.44,;3.65,5.95,;1.74,2.29,;.64,1.22,;-2.11,2.95,;-1.25,4.23,;-1.93,5.61,;-3.47,5.71,;-4.33,4.43,;-3.65,3.05,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493146 (N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihy...) Show SMILES CC(=N)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:20.23,wD:17.19,(-4.32,-1.17,;-5.09,.17,;-6.63,.17,;-4.32,1.5,;-2.78,1.5,;-2.01,.17,;-2.64,-1.24,;-1.5,-2.27,;-1.5,-3.81,;-.16,-4.58,;1.17,-3.81,;2.64,-4.29,;3.54,-3.04,;2.64,-1.8,;1.17,-2.27,;-.16,-1.5,;-.48,0,;.55,1.15,;2.05,.83,;3.09,1.97,;2.61,3.44,;3.64,4.58,;5.15,4.26,;6.63,3.86,;1.1,3.76,;.07,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM50527404 (CHEMBL4514898 | US10981911, Example 62) Show SMILES CC(C)CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.29,wD:29.33,(7.39,-23.23,;8.93,-23.24,;9.7,-21.9,;9.69,-24.57,;11.23,-24.57,;12.01,-23.24,;13.54,-23.24,;14.31,-24.58,;13.55,-25.91,;12,-25.91,;15.85,-24.58,;16.62,-25.91,;15.85,-27.24,;18.16,-25.91,;18.93,-27.24,;18.31,-28.64,;19.45,-29.66,;19.45,-31.21,;20.78,-31.98,;22.11,-31.21,;23.59,-31.69,;24.5,-30.43,;23.59,-29.18,;22.11,-29.66,;20.77,-28.9,;20.45,-27.4,;21.48,-26.25,;21.01,-24.79,;22.04,-23.65,;23.55,-23.97,;24.59,-22.83,;26.09,-23.15,;27.6,-23.49,;24.02,-25.44,;23,-26.58,)| Show InChI InChI=1S/C27H37N7O/c1-18(2)17-33-13-9-20(10-14-33)31-25(35)15-24-32-23-16-30-27-22(8-12-29-27)26(23)34(24)21-5-3-19(4-6-21)7-11-28/h8,12,16,18-21H,3-7,9-10,13-15,17H2,1-2H3,(H,29,30)(H,31,35)/t19-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM50527405 (CHEMBL4456630 | US10981911, Example 26) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCC(CC1)N1CCOCC1 |r,wU:15.17,wD:18.21,(59.72,-29.37,;60.49,-28.03,;62.03,-28.03,;62.8,-29.36,;62.18,-30.76,;63.32,-31.78,;63.32,-33.33,;64.65,-34.1,;65.98,-33.33,;67.46,-33.81,;68.37,-32.55,;67.46,-31.3,;65.98,-31.78,;64.64,-31.02,;64.32,-29.52,;65.35,-28.37,;64.88,-26.92,;65.91,-25.77,;67.42,-26.09,;68.45,-24.95,;69.96,-25.28,;71.47,-25.61,;67.89,-27.56,;66.86,-28.7,;59.72,-26.7,;60.49,-25.37,;59.73,-24.04,;58.19,-24.03,;57.41,-25.37,;58.18,-26.71,;57.42,-22.7,;58.2,-21.37,;57.43,-20.04,;55.89,-20.03,;55.12,-21.36,;55.88,-22.7,)| Show InChI InChI=1S/C27H35N7O2/c28-9-5-19-1-3-21(4-2-19)34-24(31-23-18-30-27-22(26(23)34)6-10-29-27)17-25(35)33-11-7-20(8-12-33)32-13-15-36-16-14-32/h6,10,18-21H,1-5,7-8,11-17H2,(H,29,30)/t19-,21-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493073 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccncn1 |r,wU:18.21,wD:15.17,(-3.66,-.96,;-2.89,.37,;-1.35,.37,;-.58,-.96,;-1.21,-2.37,;-.06,-3.4,;-.06,-4.94,;1.27,-5.71,;2.6,-4.94,;4.07,-5.41,;4.97,-4.17,;4.07,-2.92,;2.6,-3.4,;1.27,-2.63,;.95,-1.12,;2.04,-.03,;3.53,-.43,;4.62,.66,;4.22,2.15,;5.31,3.23,;6.79,2.84,;8.28,2.44,;2.73,2.54,;1.64,1.45,;-3.66,1.71,;-5.2,1.71,;-5.97,3.04,;-7.51,3.04,;-8.28,4.37,;-7.51,5.71,;-5.97,5.71,;-5.2,4.37,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493126 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CN1CCC(CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:26.30,wD:23.26,(-8.94,.17,;-7.4,.17,;-6.63,1.5,;-5.09,1.5,;-4.32,.17,;-5.09,-1.17,;-6.63,-1.17,;-2.78,.17,;-2.01,1.5,;-2.78,2.83,;-.47,1.5,;.3,.17,;-.33,-1.24,;.81,-2.27,;.81,-3.81,;2.15,-4.58,;3.48,-3.81,;4.95,-4.29,;5.85,-3.04,;4.95,-1.8,;3.48,-2.27,;2.15,-1.5,;1.83,0,;2.86,1.15,;4.36,.83,;5.4,1.97,;4.92,3.44,;5.95,4.58,;7.46,4.26,;8.94,3.94,;3.41,3.76,;2.38,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493092 (N-((3R,5R)-Adamantan-1-yl)-2-(1-((1r,4r)-4-(cyanom...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CC3CC(CC(C3)C1)C2 |r,wU:18.21,wD:15.17,TLB:34:25:32:29.28.30,THB:30:29:26:32.31.33,30:31:26:34.29.28,24:25:32:29.28.30,34:29:32:26.25.33,(-5.52,-1.27,;-4.75,.07,;-3.21,.07,;-2.44,-1.27,;-3.06,-2.67,;-1.92,-3.7,;-1.92,-5.24,;-.58,-6.01,;.75,-5.24,;2.21,-5.72,;3.12,-4.47,;2.21,-3.23,;.75,-3.7,;-.58,-2.93,;-.9,-1.43,;.13,-.28,;1.63,-.6,;2.66,.54,;2.19,2.01,;3.22,3.15,;4.72,2.83,;6.23,2.51,;.68,2.33,;-.35,1.18,;-5.52,1.4,;-4.75,2.73,;-6.23,3.14,;-6.23,4.68,;-5.16,3.55,;-3.67,3.14,;-2.88,4.53,;-3.97,5.62,;-5.46,6.01,;-3.98,4.07,;-3.67,1.63,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493221 ((3R,5R,7R)—N-((1-((1r,4r)-4-(Cyanomethyl)cycl...) Show SMILES N=C(NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C12CC3CC(CC(C3)C1)C2 |r,wU:19.22,wD:16.18,TLB:32:27:34:33.31.30,32:31:34:27.28.26,28:29:33:27.32.26,THB:28:27:33:34.29.30,(-3.39,4.32,;-3.79,2.83,;-3.02,1.5,;-1.48,1.5,;-.71,.17,;-1.34,-1.24,;-.19,-2.27,;-.19,-3.81,;1.14,-4.58,;2.47,-3.81,;3.94,-4.29,;4.84,-3.04,;3.94,-1.8,;2.47,-2.27,;1.14,-1.5,;.82,0,;1.85,1.15,;3.36,.83,;4.39,1.97,;3.91,3.44,;4.94,4.58,;6.45,4.26,;7.93,3.9,;2.4,3.76,;1.37,2.61,;-5.28,2.43,;-6.59,1.95,;-7.93,2.63,;-7.93,3.91,;-6.58,4.5,;-5.77,3.62,;-5.91,1.7,;-7.54,1.45,;-4.65,1.64,;-5.16,3.97,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493077 ((Z)—N-((1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-...) Show SMILES O\N=C(/NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:20.23,wD:17.19,(-.83,-6.34,;-2.37,-6.34,;-3.14,-7.67,;-2.37,-9.01,;-.83,-9.01,;-.06,-10.34,;-.7,-11.75,;.44,-12.78,;.44,-14.32,;1.77,-15.1,;3.1,-14.33,;4.57,-14.82,;5.48,-13.57,;4.58,-12.32,;3.11,-12.79,;1.78,-12.02,;1.47,-10.51,;2.56,-9.42,;4.04,-9.82,;5.13,-8.73,;4.73,-7.24,;5.82,-6.15,;7.31,-6.55,;8.8,-6.95,;3.25,-6.84,;2.16,-7.93,;-4.68,-7.67,;-5.45,-6.34,;-6.99,-6.34,;-7.76,-7.67,;-6.99,-9.01,;-5.45,-9.01,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387825 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)CCC1 |r,wU:22.25,wD:19.21,(-7.69,-.4,;-6.36,-1.17,;-5.59,.17,;-4.05,.17,;-3.28,1.5,;-4.05,2.83,;-1.74,1.5,;-.97,.17,;-1.6,-1.24,;-.45,-2.27,;-.45,-3.81,;.88,-4.58,;2.21,-3.81,;3.68,-4.29,;4.58,-3.04,;3.68,-1.8,;2.21,-2.27,;.88,-1.5,;.56,0,;1.59,1.15,;3.1,.83,;4.13,1.97,;3.65,3.44,;4.68,4.58,;6.19,4.26,;7.69,3.94,;2.15,3.76,;1.11,2.61,;-4.87,-1.57,;-5.27,-3.05,;-6.76,-2.66,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493131 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES COC(C)(C)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.28,wD:22.24,(-8.17,2.3,;-7.4,3.63,;-5.86,3.63,;-6.26,5.12,;-4.53,4.4,;-5.09,2.3,;-3.55,2.3,;-2.78,.96,;-3.55,-.37,;-1.24,.96,;-.47,-.37,;-1.1,-1.78,;.04,-2.81,;.04,-4.35,;1.38,-5.12,;2.71,-4.35,;4.18,-4.82,;5.08,-3.58,;4.18,-2.33,;2.71,-2.81,;1.38,-2.04,;1.06,-.53,;2.09,.61,;3.59,.29,;4.63,1.44,;4.15,2.9,;5.18,4.05,;6.69,3.73,;8.17,3.41,;2.64,3.22,;1.61,2.08,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM50527409 (CHEMBL4447497 | US10981911, Example 58) Show SMILES NC(=O)C12CCC(CC1)(CC2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:27.31,wD:30.35,(51.54,-6.32,;52.99,-6.72,;53.36,-8.17,;54.07,-5.78,;55.42,-4.48,;56.49,-4.98,;55.4,-5.91,;55.39,-7.27,;54.08,-7.23,;53.78,-4.37,;52.64,-4.97,;56.73,-6.67,;56.73,-8.21,;55.39,-8.99,;58.06,-8.99,;58.06,-10.53,;56.81,-11.41,;57.26,-12.87,;56.46,-14.2,;57.23,-15.55,;58.77,-15.57,;59.8,-16.73,;61.22,-16.11,;61.08,-14.57,;59.56,-14.23,;58.8,-12.89,;59.29,-11.44,;60.76,-10.98,;61.09,-9.48,;62.57,-9.03,;63.71,-10.07,;65.18,-9.62,;66.31,-10.67,;67.44,-11.72,;63.36,-11.57,;61.9,-12.03,)| Show InChI InChI=1S/C27H33N7O2/c28-13-5-17-1-3-18(4-2-17)34-21(32-20-16-31-24-19(23(20)34)6-14-30-24)15-22(35)33-27-10-7-26(8-11-27,9-12-27)25(29)36/h6,14,16-18H,1-5,7-12,15H2,(H2,29,36)(H,30,31)(H,33,35)/t17-,18-,26?,27?	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493072 (2-Cyano-N-((1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=S(=O)(CCC#N)NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-3.28,1.12,;-4.82,1.12,;-6.36,1.12,;-4.82,2.66,;-6.15,3.43,;-6.15,4.97,;-6.15,6.51,;-4.82,-.42,;-3.28,-.42,;-2.51,-1.76,;-3.13,-3.17,;-1.99,-4.2,;-1.99,-5.74,;-.65,-6.51,;.68,-5.74,;2.14,-6.21,;3.05,-4.97,;2.14,-3.72,;.68,-4.2,;-.65,-3.43,;-.97,-1.92,;.11,-.83,;1.6,-1.23,;2.69,-.14,;2.29,1.35,;3.38,2.44,;4.87,2.04,;6.36,1.64,;.8,1.75,;-.28,.66,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493084 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC1(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)COC1 |r,wU:22.25,wD:19.21,(-7.79,-.28,;-6.46,-1.05,;-5.69,.28,;-4.15,.28,;-3.38,1.62,;-4.15,2.95,;-1.84,1.62,;-1.07,.28,;-1.7,-1.12,;-.56,-2.16,;-.57,-3.7,;.76,-4.47,;2.1,-3.71,;3.56,-4.19,;4.47,-2.95,;3.57,-1.7,;2.11,-2.17,;.78,-1.39,;.46,.12,;1.55,1.2,;3.04,.81,;4.13,1.9,;3.73,3.38,;4.82,4.47,;6.31,4.07,;7.79,3.67,;2.24,3.78,;1.15,2.69,;-7.23,-2.38,;-5.9,-3.15,;-5.13,-1.82,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493120 (2-((1r,4r)-4-(2-(1H-Pyrazol-3-yl)imidazo[4,5-d]pyr...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1cc[nH]n1 |r,wU:3.2,wD:6.9,(5.63,3.94,;4.15,4.26,;2.64,4.58,;1.61,3.44,;2.09,1.97,;1.06,.83,;-.45,1.15,;-.93,2.61,;.1,3.76,;-1.48,0,;-3.01,.17,;-3.64,-1.24,;-2.49,-2.27,;-2.49,-3.81,;-1.16,-4.58,;.17,-3.81,;1.64,-4.29,;2.54,-3.04,;1.64,-1.8,;.17,-2.27,;-1.16,-1.5,;-3.78,1.5,;-5.31,1.66,;-5.63,3.17,;-4.3,3.94,;-3.16,2.91,)| Show InChI InChI=1S/C19H17N7/c20-8-5-12-1-3-13(4-2-12)26-17-14-6-9-21-18(14)22-11-16(17)24-19(26)15-7-10-23-25-15/h6-7,9-13H,1-5H2/b19-15-/t12-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM50527410 (CHEMBL4439418 | US10981911, Example 57) Show SMILES FC(F)(F)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.23,wD:24.27,(29.58,-41.12,;28.81,-42.46,;27.27,-42.46,;28.03,-41.11,;29.58,-43.79,;31.12,-43.79,;31.89,-45.12,;31.13,-46.45,;33.43,-45.12,;34.21,-46.45,;33.58,-47.85,;34.72,-48.87,;34.72,-50.42,;36.06,-51.19,;37.39,-50.42,;38.86,-50.9,;39.78,-49.64,;38.86,-48.39,;37.39,-48.87,;36.05,-48.11,;35.73,-46.61,;36.76,-45.46,;36.28,-44,;37.32,-42.86,;38.83,-43.18,;39.86,-42.04,;41.37,-42.36,;42.87,-42.7,;39.3,-44.65,;38.27,-45.79,)| Show InChI InChI=1S/C20H21F3N6O/c21-20(22,23)11-27-17(30)9-16-28-15-10-26-19-14(6-8-25-19)18(15)29(16)13-3-1-12(2-4-13)5-7-24/h6,8,10,12-13H,1-5,9,11H2,(H,25,26)(H,27,30)/t12-,13-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493088 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCCCC1 |r,wU:18.21,wD:15.17,(-3.66,2.95,;-2.89,1.62,;-1.35,1.62,;-.58,.28,;-1.21,-1.12,;-.07,-2.16,;-.08,-3.7,;1.25,-4.47,;2.59,-3.71,;4.05,-4.19,;4.96,-2.95,;4.06,-1.7,;2.59,-2.17,;1.26,-1.39,;.95,.12,;2.04,1.2,;3.53,.81,;4.62,1.9,;4.22,3.38,;5.31,4.47,;6.79,4.07,;8.28,3.67,;2.73,3.78,;1.64,2.69,;-3.66,.28,;-5.2,.28,;-5.97,1.62,;-7.51,1.62,;-8.28,.28,;-7.51,-1.05,;-5.97,-1.05,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493083 (N-(4-Cyanobicyclo[2.2.1]heptan-1-yl)-2-(1-((1r,4r)...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC1)(C2)C#N |r,wU:18.21,wD:15.17,(-5.97,-2.29,;-5.2,-.96,;-3.66,-.96,;-2.89,-2.29,;-3.52,-3.69,;-2.38,-4.73,;-2.39,-6.27,;-1.06,-7.05,;.28,-6.28,;1.74,-6.76,;2.65,-5.52,;1.75,-4.27,;.28,-4.74,;-1.05,-3.97,;-1.36,-2.46,;-.27,-1.37,;1.22,-1.77,;2.31,-.68,;1.91,.81,;3,1.9,;4.48,1.5,;5.97,1.1,;.42,1.21,;-.67,.12,;-5.97,.38,;-5.2,1.71,;-3.66,1.71,;-2.89,3.04,;-3.66,4.38,;-5.2,4.38,;-5.97,3.04,;-4.79,3.26,;-2.89,5.71,;-2.12,7.05,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493081 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(CNC(=O)Cc1nc4cnc5[nH]ccc5c4n1[C@H]1CC[C@H](CC#N)CC1)(C3)C2 |r,wU:29.33,wD:26.29,TLB:6:1:35:7.5.4,THB:6:5:35:1.2.36,0:1:35:7.5.4,0:1:7:35.3.4,2:1:7:35.3.4,2:3:7:1.6.36,(.49,3.62,;-1,3.22,;-1,4.76,;-2.33,5.53,;-3.08,4.37,;-3.1,1.97,;-1.9,1.3,;-4.49,1.32,;-3.66,3.22,;-5.2,3.22,;-5.97,1.89,;-5.2,.56,;-5.97,-.78,;-3.66,.56,;-2.89,-.78,;-3.52,-2.18,;-2.38,-3.22,;-2.39,-4.76,;-1.06,-5.53,;.28,-4.77,;1.74,-5.25,;2.65,-4.01,;1.75,-2.76,;.28,-3.23,;-1.05,-2.45,;-1.36,-.94,;-.27,.14,;1.22,-.25,;2.31,.83,;1.91,2.32,;3,3.41,;4.48,3.01,;5.97,2.61,;.42,2.72,;-.67,1.63,;-3.66,4.76,;-2.33,2.45,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493075 (2-((1r,4r)-4-(2-(2H-1,2,3-Triazol-4-yl)imidazo[4,5...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1cn[nH]n1 |r,wU:3.2,wD:6.9,(5.65,3.67,;4.16,4.07,;2.67,4.47,;1.59,3.38,;1.98,1.9,;.9,.81,;-.59,1.2,;-.99,2.69,;.1,3.78,;-1.68,.12,;-3.21,.28,;-3.84,-1.12,;-2.7,-2.16,;-2.71,-3.7,;-1.38,-4.47,;-.04,-3.71,;1.42,-4.19,;2.33,-2.95,;1.43,-1.7,;-.04,-2.17,;-1.37,-1.39,;-3.98,1.62,;-5.49,1.94,;-5.65,3.47,;-4.24,4.1,;-3.21,2.95,)| Show InChI InChI=1S/C18H16N8/c19-7-5-11-1-3-12(4-2-11)26-16-13-6-8-20-17(13)21-9-14(16)23-18(26)15-10-22-25-24-15/h6,8-12H,1-5H2/b18-15-/t11-,12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493091 (2-((1r,4r)-4-(2-(4-Chloro-1H-pyrazol-3-yl)imidazo[...) Show SMILES Clc1c[nH]nc1-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:21.25,wD:18.21,(-1.66,3.23,;-3.17,2.91,;-4.31,3.94,;-5.64,3.17,;-5.32,1.66,;-3.79,1.5,;-3.02,.17,;-3.65,-1.24,;-2.5,-2.27,;-2.5,-3.81,;-1.17,-4.58,;.16,-3.81,;1.63,-4.29,;2.53,-3.04,;1.63,-1.8,;.16,-2.27,;-1.17,-1.5,;-1.49,0,;-.46,1.15,;1.05,.83,;2.08,1.97,;1.6,3.44,;2.63,4.58,;4.14,4.26,;5.64,3.94,;.09,3.76,;-.94,2.61,)| Show InChI InChI=1S/C19H16ClN7/c20-14-9-24-26-16(14)19-25-15-10-23-18-13(6-8-22-18)17(15)27(19)12-3-1-11(2-4-12)5-7-21/h6,8-12H,1-5H2/b19-16+/t11-,12-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493089 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.25,wD:19.21,(-7.9,-1.05,;-6.36,-1.05,;-5.59,.28,;-4.05,.28,;-3.28,1.62,;-4.05,2.95,;-1.74,1.62,;-.97,.28,;-1.6,-1.12,;-.46,-2.16,;-.47,-3.7,;.86,-4.47,;2.2,-3.71,;3.66,-4.19,;4.58,-2.95,;3.68,-1.7,;2.21,-2.17,;.88,-1.39,;.57,.12,;1.65,1.2,;3.14,.81,;4.23,1.9,;3.83,3.38,;4.92,4.47,;6.41,4.07,;7.9,3.67,;2.34,3.78,;1.26,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM50527407 (CHEMBL4582390 | US10981911, Example 33) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.26,4.7,wD:26.30,1.0,(24.62,-9.21,;26.16,-9.22,;26.93,-10.55,;28.47,-10.56,;29.24,-9.23,;28.47,-7.89,;26.94,-7.89,;30.78,-9.23,;31.55,-10.56,;30.78,-11.9,;33.09,-10.56,;33.86,-11.89,;33.24,-13.29,;34.38,-14.31,;34.38,-15.86,;35.71,-16.63,;37.04,-15.86,;38.52,-16.34,;39.43,-15.08,;38.52,-13.83,;37.04,-14.31,;35.7,-13.55,;35.38,-12.05,;36.41,-10.9,;35.93,-9.45,;36.97,-8.3,;38.48,-8.62,;39.51,-7.48,;41.02,-7.81,;42.53,-8.14,;38.95,-10.09,;37.92,-11.23,)| Show InChI InChI=1S/C24H30N6O2/c25-11-9-15-1-5-17(6-2-15)30-21(13-22(32)28-16-3-7-18(31)8-4-16)29-20-14-27-24-19(23(20)30)10-12-26-24/h10,12,14-18,31H,1-9,13H2,(H,26,27)(H,28,32)/t15-,16-,17-,18-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493127 (2-((1r,4r)-4-(2-(2-(1,1-Dioxidothiomorpholino)-2-o...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCS(=O)(=O)CC1 |r,wU:18.21,wD:15.17,(-4.35,-1.06,;-3.58,.27,;-2.04,.27,;-1.27,-1.06,;-1.9,-2.47,;-.75,-3.5,;-.75,-5.04,;.58,-5.81,;1.92,-5.04,;3.38,-5.52,;4.29,-4.27,;3.38,-3.03,;1.92,-3.5,;.58,-2.73,;.26,-1.22,;1.29,-.08,;2.8,-.4,;3.83,.74,;3.35,2.21,;4.38,3.35,;5.89,3.03,;7.38,2.72,;1.85,2.53,;.82,1.38,;-4.35,1.6,;-3.58,2.94,;-4.35,4.27,;-5.89,4.27,;-7.38,4.67,;-5.89,5.81,;-6.66,2.94,;-5.89,1.6,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387824 (N-(2-Cyano-2-methylpropyl)-2-(1-((1r,4r)-4-(cyanom...) Show SMILES CC(C)(CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)C#N |r,wU:23.26,wD:20.22,(-5.09,-2.66,;-5.49,-1.17,;-4,-1.57,;-4.72,.17,;-3.18,.17,;-2.41,1.5,;-3.18,2.83,;-.87,1.5,;-.1,.17,;-.72,-1.24,;.42,-2.27,;.42,-3.81,;1.75,-4.58,;3.09,-3.81,;4.55,-4.29,;5.46,-3.04,;4.55,-1.8,;3.09,-2.27,;1.75,-1.5,;1.43,0,;2.46,1.15,;3.97,.83,;5,1.97,;4.52,3.44,;5.56,4.58,;7.06,4.26,;8.57,3.94,;3.02,3.76,;1.99,2.61,;-7.03,-1.17,;-8.57,-1.17,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493074 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CC(C)(CO)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.28,wD:22.24,(-5.57,-2.54,;-5.97,-1.05,;-4.64,-1.82,;-7.51,-1.05,;-8.28,-2.38,;-5.2,.28,;-3.66,.28,;-2.89,1.62,;-3.66,2.95,;-1.35,1.62,;-.58,.28,;-1.21,-1.12,;-.07,-2.16,;-.08,-3.7,;1.25,-4.47,;2.59,-3.71,;4.05,-4.19,;4.96,-2.95,;4.06,-1.7,;2.59,-2.17,;1.26,-1.39,;.95,.12,;2.04,1.2,;3.53,.81,;4.62,1.9,;4.22,3.38,;5.31,4.47,;6.79,4.07,;8.28,3.67,;2.73,3.78,;1.64,2.69,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493140 (1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-N-((3-hydrox...) Show SMILES OC1(CNC(=O)c2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)COC1 |r,wU:21.24,wD:18.20,(-4.92,4.17,;-5.69,2.83,;-4.15,2.83,;-3.38,1.5,;-1.84,1.5,;-1.07,2.83,;-1.07,.17,;-1.7,-1.24,;-.55,-2.27,;-.55,-3.81,;.78,-4.58,;2.11,-3.81,;3.58,-4.29,;4.48,-3.04,;3.58,-1.8,;2.11,-2.27,;.78,-1.5,;.46,0,;1.49,1.15,;3,.83,;4.03,1.97,;3.55,3.44,;4.58,4.58,;6.09,4.26,;7.58,3.86,;2.05,3.76,;1.02,2.61,;-7.18,3.23,;-7.58,1.74,;-6.09,1.35,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM387822 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC1CCOCC1 |r,wU:18.21,wD:15.17,(-3.56,.17,;-2.79,1.5,;-1.25,1.5,;-.48,.17,;-1.11,-1.24,;.04,-2.27,;.04,-3.81,;1.37,-4.58,;2.7,-3.81,;4.17,-4.29,;5.07,-3.04,;4.17,-1.8,;2.7,-2.27,;1.37,-1.5,;1.05,0,;2.08,1.15,;3.59,.83,;4.62,1.97,;4.14,3.44,;5.17,4.58,;6.68,4.26,;8.18,3.94,;2.63,3.76,;1.6,2.61,;-3.56,2.83,;-5.1,2.83,;-5.87,4.17,;-7.41,4.17,;-8.18,2.83,;-7.41,1.5,;-5.87,1.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493114 (4-(2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-di...) Show SMILES NC(=O)C12CCC(CC1)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:29.34,wD:26.30,(-1.24,5.71,;-2.78,5.71,;-3.55,7.04,;-3.55,4.37,;-2.78,3.04,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-3.55,2.83,;-5.86,.37,;-5.09,-.96,;-5.86,-2.29,;-3.55,-.96,;-2.78,-2.29,;-3.41,-3.7,;-2.27,-4.73,;-2.27,-6.27,;-.93,-7.04,;.4,-6.27,;1.87,-6.75,;2.77,-5.5,;1.87,-4.26,;.4,-4.73,;-.93,-3.96,;-1.25,-2.46,;-.22,-1.31,;1.28,-1.63,;2.32,-.49,;1.84,.98,;2.87,2.12,;4.38,1.8,;5.86,1.4,;.33,1.3,;-.7,.15,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493109 (2-((1r,4r)-4-(2-(2-Oxo-2-(pyrrolidin-1-yl)ethyl)im...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N1CCCC1 |r,wU:18.21,wD:15.17,(-4.94,-.18,;-4.17,1.15,;-2.63,1.15,;-1.86,-.18,;-2.48,-1.59,;-1.34,-2.62,;-1.34,-4.16,;-.01,-4.93,;1.33,-4.16,;2.79,-4.63,;3.7,-3.39,;2.79,-2.14,;1.33,-2.62,;-.01,-1.85,;-.33,-.34,;.7,.8,;2.21,.48,;3.24,1.63,;2.77,3.09,;3.8,4.24,;5.3,3.92,;6.79,3.52,;1.26,3.41,;.23,2.27,;-4.94,2.49,;-4.31,3.9,;-5.46,4.93,;-6.79,4.16,;-6.47,2.65,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [580-1182,C936A,C1142A] (Homo sapiens (Human))	BDBM493097 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O[C@H]1C[C@@H](C1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.28,3.5,wD:21.24,1.0,(-8.5,.17,;-6.96,.17,;-5.87,-.92,;-4.78,.17,;-5.87,1.25,;-3.24,.17,;-2.47,1.5,;-3.24,2.83,;-.93,1.5,;-.16,.17,;-.79,-1.24,;.35,-2.27,;.35,-3.81,;1.69,-4.58,;3.02,-3.81,;4.49,-4.29,;5.39,-3.04,;4.49,-1.8,;3.02,-2.27,;1.69,-1.5,;1.37,0,;2.4,1.15,;3.9,.83,;4.93,1.97,;4.46,3.44,;5.49,4.58,;7,4.26,;8.5,3.94,;2.95,3.76,;1.92,2.61,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Pharmaceutica NV US Patent					Assay Description 11-point dosing series were made for each compound by serially diluting 1:3 or 1:4 in DMSO, with point 12 being a DMSO control. From the serial dilut...				US Patent US10981911 (2021) BindingDB Entry DOI: 10.7270/Q27P92G6
					More data for this Ligand-Target Pair

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