Compile Data Set for Download or QSAR

Found 240 hits of ic50 for UniProtKB: P52333   

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
Tyrosine-protein kinase JAK3 [512-1124] (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	12	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM387815 (US10294226, Compound A | US10487083, Example A | U...) Show SMILES Cc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:16.19,wD:13.15,(-2.79,.37,;-2.02,-.96,;-2.65,-2.37,;-1.5,-3.4,;-1.5,-4.94,;-.17,-5.71,;1.16,-4.94,;2.63,-5.41,;3.53,-4.17,;2.63,-2.92,;1.16,-3.4,;-.17,-2.63,;-.49,-1.12,;.54,.02,;2.05,-.3,;3.08,.85,;2.6,2.31,;3.63,3.46,;5.14,3.14,;6.64,2.82,;1.09,2.63,;.06,1.49,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM505104 (US11066406, A) Show SMILES Cc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	12.9	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM493258 (2-(8-chloro-1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-...) Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]cc(Cl)c3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.28,wD:22.24,(-7.9,3.71,;-6.36,3.71,;-5.59,5.04,;-7.13,5.04,;-5.59,2.37,;-4.05,2.37,;-3.28,1.04,;-4.05,-.29,;-1.74,1.04,;-.97,-.29,;-1.59,-1.7,;-.45,-2.73,;-.45,-4.27,;.89,-5.04,;2.22,-4.27,;3.68,-4.75,;4.59,-3.5,;3.68,-2.26,;4.45,-.92,;2.22,-2.73,;.89,-1.96,;.57,-.45,;1.65,.63,;3.14,.24,;4.23,1.32,;3.83,2.81,;4.92,3.9,;6.41,3.5,;7.9,3.1,;2.34,3.21,;1.26,2.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.1	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 JAK3 [512-1124] (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	13.3	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM505105 (US11066406, B) Show SMILES OCc1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |(-5.4,3.9,;-3.94,3.43,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM420028 (US10487083, Example B) Show SMILES OCCc1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,(-6.63,-10.86,;-5.86,-12.2,;-4.32,-12.2,;-3.55,-13.53,;-4.18,-14.94,;-3.04,-15.97,;-3.04,-17.51,;-1.7,-18.28,;-.37,-17.51,;1.1,-17.98,;2,-16.74,;1.1,-15.49,;-.37,-15.97,;-1.7,-15.2,;-2.02,-13.69,;-.93,-12.6,;.55,-13,;1.64,-11.91,;1.25,-10.42,;2.33,-9.33,;3.87,-9.33,;5.41,-9.33,;-.24,-10.03,;-1.33,-11.11,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	UniChem	US Patent	n/a	n/a	13.4	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493279 (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(cc1)C#N |r,wU:18.21,wD:15.17,(-2.12,.28,;-1.35,1.61,;.19,1.61,;.96,.28,;.33,-1.13,;1.48,-2.16,;1.48,-3.7,;2.81,-4.47,;4.14,-3.7,;5.61,-4.18,;6.51,-2.93,;5.61,-1.69,;4.14,-2.16,;2.81,-1.39,;2.49,.12,;3.58,1.2,;5.07,.81,;6.16,1.89,;5.76,3.38,;6.85,4.47,;8.33,4.07,;9.82,3.67,;4.27,3.78,;3.18,2.69,;-2.12,2.94,;-3.66,2.94,;-4.43,4.28,;-5.97,4.28,;-6.74,2.94,;-5.97,1.61,;-4.43,1.61,;-8.28,2.94,;-9.82,2.94,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM493259 (2-(8-bromo-1-((1r,4r)-4-(cyanomethyl)cyclohexyl)-1...) Show SMILES CC(C)(O)CNC(=O)Cc1nc2cnc3[nH]cc(Br)c3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:25.28,wD:22.24,(-7.9,3.71,;-6.36,3.71,;-5.59,5.04,;-7.13,5.04,;-5.59,2.37,;-4.05,2.37,;-3.28,1.04,;-4.05,-.29,;-1.74,1.04,;-.97,-.29,;-1.59,-1.7,;-.45,-2.73,;-.45,-4.27,;.89,-5.04,;2.22,-4.27,;3.68,-4.75,;4.59,-3.5,;3.68,-2.26,;4.45,-.92,;2.22,-2.73,;.89,-1.96,;.57,-.45,;1.65,.63,;3.14,.24,;4.23,1.32,;3.83,2.81,;4.92,3.9,;6.41,3.5,;7.9,3.1,;2.34,3.21,;1.26,2.12,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.6	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 JAK3 [512-1124] (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	18.7	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 JAK3 [512-1124] (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	18.9	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 JAK3 [512-1124] (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	19.9	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 JAK3 [512-1124] (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	20.5	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
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM505111 (US11066406, Ex. 5) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)NC1CCOCC1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;10.75,-.89,;10.75,-2.43,;9.42,-3.2,;8.08,-2.43,;8.08,-.89,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	23.1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	23.1	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	23.1	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 JAK3 [512-1124] (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	24.4	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 JAK3 [512-1124] (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	28.2	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 JAK3 [512-1124] (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	28.2	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM505112 (US11066406, Ex. 6) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1(CC#N)CCCCC1)NCC1CCOCC1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	28.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM493143 (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)NC1CCSCC1 |r,wU:18.21,wD:15.17,(-3.55,.17,;-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,;-3.55,2.83,;-5.09,2.83,;-5.86,4.17,;-7.4,4.17,;-8.17,2.83,;-7.4,1.5,;-5.86,1.5,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	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
Tyrosine-protein kinase JAK3 [512-1124] (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	30.3	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM505117 (US11066406, Ex. 11) Show SMILES O=C(Cc1nc2cnc3[nH]ccc3c2n1C1CCC(CC#N)CC1)Nc1cc[nH]n1 |(8.08,3.73,;8.08,2.19,;6.75,1.42,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;4.01,1.56,;3.69,.06,;2.23,-.42,;1.91,-1.93,;3.05,-2.96,;2.73,-4.46,;3.87,-5.49,;5.02,-6.52,;4.51,-2.48,;4.83,-.98,;9.42,1.42,;9.42,-.12,;8.17,-1.03,;8.65,-2.49,;10.19,-2.49,;10.66,-1.03,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	30.3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	30.3	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	30.6	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 JAK3 [512-1124] (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	31.4	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 JAK3 [512-1124] (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31.8	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 JAK3 [512-1124] (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	32.7	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 JAK3 [512-1124] (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.9	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM493169 (Diethyl 4-(2-(1-((1r,4r)-4-(cyanomethyl)cyclohexyl...) Show SMILES CCOP(=O)(Cc1ccc(NC(=O)Cc2nc3cnc4[nH]ccc4c3n2[C@H]2CC[C@H](CC#N)CC2)cc1)OCC |r,wU:29.32,wD:26.28,(-5.58,-1.17,;-6.35,.17,;-7.89,.17,;-8.66,1.5,;-10,2.27,;-7.89,2.83,;-6.35,2.83,;-5.58,4.17,;-4.04,4.17,;-3.27,2.83,;-1.73,2.83,;-.96,1.5,;-1.73,.17,;.58,1.5,;1.35,.17,;.72,-1.24,;1.87,-2.27,;1.87,-3.81,;3.2,-4.58,;4.53,-3.81,;6,-4.29,;6.9,-3.04,;6,-1.8,;4.53,-2.27,;3.2,-1.5,;2.88,0,;3.91,1.15,;5.42,.83,;6.45,1.97,;5.97,3.44,;7,4.58,;8.51,4.26,;10,3.86,;4.46,3.76,;3.43,2.61,;-4.04,1.5,;-5.58,1.5,;-9.75,.41,;-8.98,-.92,;-9.75,-2.26,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	32.9	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 JAK3 [512-1124] (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	33.5	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
Tyrosine-protein kinase JAK3 [512-1124] (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	33.9	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM505108 (US11066406, Ex. 2) Show SMILES N#CCC1CCC(CC1)n1c(nc2cnc3[nH]ccc3c12)-c1c[nH]cn1 |(5.02,-6.52,;3.87,-5.49,;2.73,-4.46,;3.05,-2.96,;4.51,-2.48,;4.83,-.98,;3.69,.06,;2.23,-.42,;1.91,-1.93,;4.01,1.56,;5.42,2.19,;5.26,3.72,;3.75,4.04,;2.98,5.37,;1.44,5.37,;.67,4.04,;-.84,3.72,;-1,2.19,;.41,1.56,;1.44,2.71,;2.98,2.71,;6.75,1.42,;8.16,2.04,;9.19,.9,;8.42,-.43,;6.91,-.11,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33.9	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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	33.9	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	36.9	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 JAK3 [512-1124] (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	37.7	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 JAK3 [512-1124] (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	38	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 JAK3 [512-1124] (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	38.1	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 JAK3 [512-1124] (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	38.8	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 JAK3 [512-1124] (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 MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38.9	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 JAK3 [512-1124] (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	42	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 JAK3 [512-1124] (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	42.5	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
Tyrosine-protein kinase JAK3 [512-1124] (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	43.7	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 JAK3 [512-1124] (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	47	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 JAK3 [512-1124] (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	47.5	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
Tyrosine-protein kinase JAK3 [512-1124] (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	48.9	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 JAK3 [512-1124] (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	49.4	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 JAK3 [512-1124] (Homo sapiens (Human))	BDBM505106 (US11066406, C) Show SMILES C[C@H](O)c1nc2ccc3[nH]ccc3c2n1C1CCC(CC1)C#N |r,wU:1.1,(-2.79,4.46,;-3.94,3.43,;-5.4,3.9,;-3.62,1.92,;-4.65,.77,;-3.88,-.56,;-4.35,-2.02,;-3.32,-3.17,;-1.82,-2.85,;-.57,-3.75,;.68,-2.85,;.2,-1.38,;-1.34,-1.38,;-2.37,-.24,;-2.21,1.29,;-.88,2.06,;-.88,3.6,;.46,4.37,;1.79,3.6,;1.79,2.06,;.46,1.29,;3.13,4.37,;3.13,5.91,)| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	49.7	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Substrate (NH2-KGGEEEEYFELVKK-CO2), internal standard peptide (NH2-SWGAIETDKEYYTVKD-CO2) and product peptide (for standard curve only) (NH2-KGGEEEEY-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2571G4J
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 [512-1124] (Homo sapiens (Human))	BDBM50434787 (CHEMBL2386635 | US10487083, Example C | US10703751...) Show SMILES C[C@@H](O)c1nc2cnc3[nH]ccc3c2n1[C@H]1CC[C@H](CC#N)CC1 |r,wU:18.21,wD:15.17,1.1,(49.07,-5.95,;48.31,-7.29,;46.77,-7.3,;49.09,-8.62,;48.48,-10.02,;49.62,-11.04,;49.62,-12.58,;50.95,-13.35,;52.28,-12.58,;53.75,-13.05,;54.65,-11.81,;53.75,-10.56,;52.28,-11.04,;50.94,-10.26,;50.61,-8.77,;51.68,-7.66,;53.17,-8.05,;54.24,-6.95,;53.83,-5.47,;54.9,-4.37,;56.39,-4.75,;57.88,-5.12,;52.34,-5.09,;51.26,-6.19,)| Show InChI InChI=1S/C18H21N5O/c1-11(24)18-22-15-10-21-17-14(7-9-20-17)16(15)23(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,24H,2-6H2,1H3,(H,20,21)/t11-,12-,13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	n/a	n/a	49.7	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 US10487083 (2019) BindingDB Entry DOI: 10.7270/Q2SX6GM6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 240 total )  |  Next  |  Last  >>

Jump to: