Compile Data Set for Download or QSAR

Found 840 hits Enz. Inhib. hit(s) with all data for entry = 9849   

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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493078 (2-((1r,4r)-4-(2-(2-(3-Hydroxyazetidin-1-yl)-2-oxoe...) Show SMILES OC1CN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:23.27,wD:20.23,(-6.65,-3.16,;-6.07,-1.74,;-6.67,-.32,;-5.27,.28,;-4.65,-1.14,;-4.5,1.62,;-5.27,2.95,;-2.96,1.62,;-2.19,.28,;-2.82,-1.12,;-1.68,-2.16,;-1.69,-3.7,;-.36,-4.47,;.98,-3.71,;2.44,-4.19,;3.35,-2.95,;2.45,-1.7,;.98,-2.17,;-.35,-1.39,;-.66,.12,;.43,1.2,;1.92,.81,;3.01,1.9,;2.61,3.38,;3.7,4.47,;5.18,4.07,;6.67,3.67,;1.12,3.78,;.03,2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493079 (N-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-2-(1-((1r,4r...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)N[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,28.32,wD:15.17,25.28,(-5.97,-1.62,;-5.2,-.29,;-3.66,-.29,;-2.89,-1.62,;-3.52,-3.03,;-2.38,-4.06,;-2.39,-5.6,;-1.06,-6.38,;.28,-5.61,;1.74,-6.1,;2.65,-4.86,;1.75,-3.61,;.28,-4.07,;-1.05,-3.3,;-1.36,-1.79,;-.27,-.7,;1.22,-1.1,;2.31,-.01,;1.91,1.48,;3,2.56,;4.48,2.17,;5.97,1.77,;.42,1.87,;-.67,.79,;-5.97,1.04,;-5.2,2.38,;-3.66,2.38,;-2.89,3.71,;-3.66,5.05,;-2.89,6.38,;-1.35,6.38,;.19,6.38,;-5.2,5.05,;-5.97,3.71,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493085 (2-((1r,4r)-4-(2-((1H-Pyrazol-5-yl)methyl)imidazo[4...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(Cc2ccn[nH]2)nc2cnc3[nH]ccc3c12 |r,wU:3.2,wD:6.9,(6.77,3.67,;5.28,4.07,;3.8,4.47,;2.71,3.38,;3.11,1.9,;2.02,.81,;.53,1.2,;.13,2.69,;1.22,3.78,;-.56,.12,;-2.09,.28,;-2.86,1.62,;-4.4,1.62,;-5.31,.37,;-6.77,.85,;-6.77,2.39,;-5.31,2.86,;-2.72,-1.12,;-1.58,-2.16,;-1.59,-3.7,;-.26,-4.47,;1.08,-3.71,;2.54,-4.19,;3.45,-2.95,;2.55,-1.7,;1.08,-2.17,;-.25,-1.39,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493087 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC[C@H]1CC[C@@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:5.8,27.31,wD:24.27,2.1,(-9.44,-1.05,;-8.67,.28,;-7.13,.28,;-6.36,-1.05,;-4.82,-1.05,;-4.05,.28,;-4.82,1.62,;-6.36,1.62,;-2.51,.28,;-1.74,1.62,;-2.51,2.95,;-.2,1.62,;.57,.28,;-.06,-1.12,;1.08,-2.16,;1.07,-3.7,;2.4,-4.47,;3.74,-3.71,;5.2,-4.19,;6.12,-2.95,;5.22,-1.7,;3.75,-2.17,;2.42,-1.39,;2.11,.12,;3.19,1.2,;4.68,.81,;5.77,1.9,;5.37,3.38,;6.46,4.47,;7.95,4.07,;9.44,3.67,;3.88,3.78,;2.8,2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.100	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493095 (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)NCc1cnccn1 |r,wU:18.21,wD:15.17,(-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,;-3.56,.17,;-5.1,.17,;-5.87,-1.17,;-5.1,-2.5,;-5.87,-3.84,;-7.41,-3.84,;-8.18,-2.5,;-7.41,-1.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM387826 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES Cn1cc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cn1 |r,wU:23.26,wD:20.22,(-8.49,1.71,;-7.16,.94,;-5.7,1.41,;-4.79,.17,;-3.25,.17,;-2.48,1.5,;-3.25,2.83,;-.94,1.5,;-.17,.17,;-.8,-1.24,;.35,-2.27,;.35,-3.81,;1.68,-4.58,;3.01,-3.81,;4.48,-4.29,;5.38,-3.04,;4.48,-1.8,;3.01,-2.27,;1.68,-1.5,;1.36,0,;2.39,1.15,;3.9,.83,;4.93,1.97,;4.45,3.44,;5.48,4.58,;6.99,4.26,;8.49,3.94,;2.95,3.76,;1.91,2.61,;-5.7,-1.08,;-7.16,-.6,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493099 (N-(4-Cyanobenzyl)-2-(1-((1r,4r)-4-(cyanomethyl)cyc...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccc(cc1)C#N |r,wU:18.21,wD:15.17,(-3.18,-2.29,;-2.41,-.96,;-.87,-.96,;-.1,-2.29,;-.72,-3.7,;.42,-4.73,;.42,-6.27,;1.75,-7.04,;3.09,-6.27,;4.55,-6.75,;5.46,-5.5,;4.55,-4.26,;3.09,-4.73,;1.75,-3.96,;1.43,-2.46,;2.46,-1.31,;3.97,-1.63,;5,-.49,;4.52,.98,;5.56,2.12,;7.06,1.8,;8.57,1.48,;3.02,1.3,;1.99,.15,;-3.18,.37,;-4.72,.37,;-5.49,1.71,;-4.72,3.04,;-5.49,4.37,;-7.03,4.37,;-7.8,3.04,;-7.03,1.71,;-7.8,5.71,;-8.57,7.04,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493102 (2-((1S,4r)-4-(2-(2-((S)-3-Hydroxypyrrolidin-1-yl)-...) Show SMILES O[C@H]1CCN(C1)C(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.28,1.0,wD:21.24,(-5.3,-3.8,;-5.47,-2.27,;-6.8,-1.5,;-6.48,0,;-4.95,.17,;-4.32,-1.24,;-4.18,1.5,;-4.95,2.83,;-2.64,1.5,;-1.87,.17,;-2.49,-1.24,;-1.35,-2.27,;-1.35,-3.81,;-.02,-4.58,;1.32,-3.81,;2.78,-4.29,;3.69,-3.04,;2.78,-1.8,;1.32,-2.27,;-.02,-1.5,;-.34,0,;.69,1.15,;2.2,.83,;3.23,1.97,;2.76,3.44,;3.79,4.58,;5.29,4.26,;6.8,3.94,;1.25,3.76,;.22,2.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493103 (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)NCCOc1ccncc1 |r,wU:18.21,wD:15.17,(-2.41,-1.63,;-1.64,-.29,;-.1,-.29,;.67,-1.63,;.05,-3.03,;1.19,-4.06,;1.19,-5.6,;2.52,-6.37,;3.86,-5.6,;5.32,-6.08,;6.23,-4.83,;5.32,-3.59,;3.86,-4.06,;2.52,-3.29,;2.2,-1.79,;3.23,-.64,;4.74,-.96,;5.77,.18,;5.29,1.64,;6.33,2.79,;7.83,2.47,;9.34,2.15,;3.79,1.97,;2.76,.82,;-2.41,1.04,;-3.95,1.04,;-4.72,2.37,;-6.26,2.37,;-7.03,3.71,;-6.26,5.04,;-7.03,6.37,;-8.57,6.37,;-9.34,5.04,;-8.57,3.71,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493104 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES CC(C)(C)CNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:24.27,wD:21.23,(-7.8,-1.17,;-6.26,-1.17,;-5.49,-2.5,;-7.03,-2.5,;-5.49,.17,;-3.95,.17,;-3.18,1.5,;-3.95,2.83,;-1.64,1.5,;-.87,.17,;-1.49,-1.24,;-.35,-2.27,;-.35,-3.81,;.98,-4.58,;2.32,-3.81,;3.78,-4.29,;4.69,-3.04,;3.78,-1.8,;2.32,-2.27,;.98,-1.5,;.66,0,;1.69,1.15,;3.2,.83,;4.23,1.97,;3.75,3.44,;4.79,4.58,;6.29,4.26,;7.8,3.94,;2.25,3.76,;1.22,2.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM50527406 (CHEMBL4588333 | US10981911, Example 45) Show SMILES Fc1ccc(CNC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1 |r,wU:22.24,wD:25.28,(4.15,-4.61,;4.92,-5.95,;6.47,-5.94,;7.24,-7.28,;6.46,-8.6,;7.24,-9.93,;8.78,-9.93,;9.55,-11.26,;8.78,-12.6,;11.09,-11.26,;11.86,-12.6,;11.24,-14,;12.38,-15.02,;12.38,-16.56,;13.71,-17.33,;15.04,-16.56,;16.52,-17.04,;17.43,-15.79,;16.52,-14.53,;15.04,-15.01,;13.7,-14.25,;13.38,-12.75,;14.41,-11.61,;13.94,-10.15,;14.97,-9,;16.48,-9.33,;17.52,-8.18,;19.02,-8.51,;20.53,-8.84,;16.95,-10.79,;15.93,-11.93,;4.93,-8.62,;4.16,-7.29,)| Show InChI InChI=1S/C25H25FN6O/c26-18-5-1-17(2-6-18)14-29-23(33)13-22-31-21-15-30-25-20(10-12-28-25)24(21)32(22)19-7-3-16(4-8-19)9-11-27/h1-2,5-6,10,12,15-16,19H,3-4,7-9,13-14H2,(H,28,30)(H,29,33)/t16-,19-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493106 (Phenyl ((1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1,6...) Show SMILES O=C(NCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)Oc1ccccc1 |r,wU:19.22,wD:16.18,(-2.78,4.17,;-3.55,2.83,;-2.78,1.5,;-1.24,1.5,;-.47,.17,;-1.1,-1.24,;.04,-2.27,;.04,-3.81,;1.38,-4.58,;2.71,-3.81,;4.18,-4.29,;5.08,-3.04,;4.18,-1.8,;2.71,-2.27,;1.38,-1.5,;1.06,0,;2.09,1.15,;3.59,.83,;4.63,1.97,;4.15,3.44,;5.18,4.58,;6.69,4.26,;8.17,3.86,;2.64,3.76,;1.61,2.61,;-5.09,2.83,;-5.86,1.5,;-7.4,1.5,;-8.17,.17,;-7.4,-1.17,;-5.86,-1.17,;-5.09,.17,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493107 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES O[C@H]1CC[C@H](CC1)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:4.7,26.30,1.0,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,;8.94,3.86,;3.41,3.76,;2.38,2.61,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493108 (N-Benzyl-2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NCc1ccccc1 |r,wU:18.21,wD:15.17,(-3.55,-.96,;-2.78,.37,;-1.24,.37,;-.47,-.96,;-1.1,-2.37,;.04,-3.4,;.04,-4.94,;1.38,-5.71,;2.71,-4.94,;4.18,-5.41,;5.08,-4.17,;4.18,-2.92,;2.71,-3.4,;1.38,-2.63,;1.06,-1.12,;2.09,.02,;3.59,-.3,;4.63,.85,;4.15,2.31,;5.18,3.46,;6.69,3.14,;8.17,2.74,;2.64,2.63,;1.61,1.49,;-3.55,1.71,;-5.09,1.71,;-5.86,3.04,;-5.09,4.37,;-5.86,5.71,;-7.4,5.71,;-8.17,4.37,;-7.4,3.04,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493110 (2-((1r,4r)-4-(2-(3-Hydroxy-3-phenylpyrrolidine-1-c...) Show SMILES OC1(CCN(C1)C(=O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)c1ccccc1 |r,wU:23.27,wD:20.23,(-4.35,-.81,;-4.35,.73,;-4.35,2.27,;-2.89,2.74,;-1.98,1.5,;-2.89,.25,;-.44,1.5,;.33,2.83,;.33,.17,;-.3,-1.24,;.84,-2.27,;.84,-3.81,;2.18,-4.58,;3.51,-3.81,;4.98,-4.29,;5.88,-3.04,;4.98,-1.8,;3.51,-2.27,;2.18,-1.5,;1.86,0,;2.89,1.15,;4.39,.83,;5.43,1.97,;4.95,3.44,;5.98,4.58,;7.49,4.26,;8.97,3.86,;3.44,3.76,;2.41,2.61,;-5.89,.73,;-6.66,2.06,;-8.2,2.06,;-8.97,.73,;-8.2,-.6,;-6.66,-.6,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493111 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-5-yl)imidazo[4,5...) Show SMILES Nc1ncc(cn1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-5.86,5.04,;-5.09,3.71,;-3.55,3.71,;-2.78,2.37,;-3.55,1.04,;-5.09,1.04,;-5.86,2.37,;-2.78,-.29,;-3.41,-1.7,;-2.27,-2.73,;-2.27,-4.27,;-.93,-5.04,;.4,-4.27,;1.87,-4.75,;2.77,-3.5,;1.87,-2.26,;.4,-2.73,;-.93,-1.96,;-1.25,-.45,;-.22,.69,;1.28,.37,;2.32,1.51,;1.84,2.98,;2.87,4.12,;4.38,3.8,;5.86,3.4,;.33,3.3,;-.7,2.15,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493112 (2-(1-((1r,4r)-4-(Cyanomethyl)cyclohexyl)-1,6-dihyd...) Show SMILES OC12CC3CC(C1)CC(C3)(C2)NC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:30.36,wD:27.32,TLB:6:1:9:5.7.4,THB:7:5:2:9.8.10,7:8:2:5.6.4,11:8:2:5.6.4,6:5:9:2.1.10,(-3.86,6.65,;-4.37,5.2,;-3.25,4.57,;-3.75,3.11,;-5.45,3.37,;-6.27,3.97,;-5.77,5.42,;-6.06,2.42,;-4.69,2.1,;-3.57,1.04,;-3.93,4.38,;-5.46,.77,;-4.69,-.57,;-5.46,-1.9,;-3.15,-.57,;-2.38,-1.9,;-3,-3.31,;-1.86,-4.34,;-1.86,-5.88,;-.53,-6.65,;.81,-5.88,;2.27,-6.35,;3.18,-5.11,;2.27,-3.86,;.81,-4.34,;-.53,-3.57,;-.85,-2.06,;.18,-.92,;1.69,-1.24,;2.72,-.09,;2.25,1.37,;3.28,2.52,;4.78,2.2,;6.27,1.8,;.74,1.69,;-.29,.55,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493113 (2-((1r,4r)-4-(2-(2-Aminopyrimidin-4-yl)imidazo[4,5...) Show SMILES Nc1nccc(n1)-c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:22.26,wD:19.22,(-6.63,2.83,;-5.09,2.83,;-4.32,4.17,;-2.78,4.17,;-2.01,2.83,;-2.78,1.5,;-4.32,1.5,;-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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM387827 (N-(4-(Cyanomethyl)bicyclo[2.2.1]heptan-1-yl)-2-(1-...) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1)NC12CCC(CC#N)(CC1)C2 |r,wU:18.21,wD:15.17,(-5.87,-1.63,;-5.1,-.29,;-3.56,-.29,;-2.79,-1.63,;-3.42,-3.03,;-2.27,-4.06,;-2.27,-5.6,;-.94,-6.37,;.39,-5.6,;1.86,-6.08,;2.76,-4.83,;1.86,-3.59,;.39,-4.06,;-.94,-3.29,;-1.26,-1.79,;-.23,-.64,;1.28,-.96,;2.31,.18,;1.83,1.64,;2.86,2.79,;4.37,2.47,;5.87,2.15,;.32,1.97,;-.71,.82,;-5.87,1.04,;-5.1,2.37,;-3.56,2.37,;-2.79,3.71,;-3.56,5.04,;-2.79,6.37,;-1.25,6.37,;.29,6.37,;-5.1,5.04,;-5.87,3.71,;-4.7,3.86,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493116 (2-((1r,4r)-4-(2-(1H-Imidazol-2-yl)imidazo[4,5-d]py...) Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3[nH]ccc3c12)-c1ncc[nH]1 |r,wU:3.2,wD:6.9,(5.63,3.86,;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,;-3.16,2.91,;-4.3,3.94,;-5.63,3.17,;-5.31,1.66,)| Show InChI InChI=1S/C19H17N7/c20-7-5-12-1-3-13(4-2-12)26-16-14-6-8-21-17(14)24-11-15(16)25-19(26)18-22-9-10-23-18/h6,8-13H,1-5H2/t12-,13-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (Homo sapiens (Human))	BDBM493263 (N-(2-(2-(2-Aminoethoxy)ethoxy)ethyl)-2-(1-((1r,4r)...) Show SMILES NCCOCCOCCNC(=O)Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:28.31,wD:25.27,(-11.71,.83,;-10.22,.44,;-9.13,1.52,;-7.64,1.13,;-6.55,2.21,;-5.07,1.82,;-3.98,2.91,;-2.49,2.51,;-1.4,3.6,;.09,3.2,;.72,1.8,;-.17,.54,;2.26,1.65,;2.85,.28,;2.22,-1.13,;3.36,-2.16,;3.36,-3.7,;4.7,-4.47,;6.03,-3.7,;7.5,-4.18,;8.4,-2.93,;7.5,-1.69,;6.03,-2.16,;4.7,-1.39,;4.38,.12,;5.47,1.2,;6.95,.81,;8.04,1.89,;7.64,3.38,;8.73,4.47,;10.22,4.07,;11.71,3.67,;6.16,3.78,;5.07,2.69,)| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
Tyrosine-protein kinase JAK1 [574-1154] (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 UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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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