Compile Data Set for Download or QSAR

Found 183 hits with Last Name = 'carenzi' and Initial = 'd'   

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 JAK2 (Homo sapiens (Human))	BDBM50497782 (CHEMBL3330130) Show SMILES CCc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-9-3-4-10(18(19,20)21)7-11(9)15-12(16(22)27)8-14(25-15)13-5-6-24-17(23)26-13/h3-8,25H,2H2,1H3,(H2,22,27)(H2,23,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497795 (CHEMBL3330129) Show SMILES CCc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C17H16ClN5O/c1-2-9-3-4-10(18)7-11(9)15-12(16(19)24)8-14(22-15)13-5-6-21-17(20)23-13/h3-8,22H,2H2,1H3,(H2,19,24)(H2,20,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497793 (CHEMBL3330125) Show SMILES NC(=O)c1cc([nH]c1-c1cc(ccc1Cl)C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O/c17-10-2-1-7(16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497783 (CHEMBL3330124) Show SMILES Cc1ccc(cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1)C(F)(F)F Show InChI InChI=1S/C17H14F3N5O/c1-8-2-3-9(17(18,19)20)6-10(8)14-11(15(21)26)7-13(24-14)12-4-5-23-16(22)25-12/h2-7,24H,1H3,(H2,21,26)(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497799 (CHEMBL3330122) Show SMILES NC(=O)c1cc([nH]c1-c1cc(Cl)ccc1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C15H11Cl2N5O/c16-7-1-2-10(17)8(5-7)13-9(14(18)23)6-12(21-13)11-3-4-20-15(19)22-11/h1-6,21H,(H2,18,23)(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482201 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H13BrF3N5O2S/c1-28-7-10(16-18(24)25-8-26-19(16)28)9-3-2-4-14(17(9)23)27-31(29,30)15-6-12(21)11(20)5-13(15)22/h2-8,27H,1H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482219 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C26H28F2N6O3S/c1-15-11-22(19(27)12-21(15)37-3)38(35,36)32-20-6-4-5-17(24(20)28)18-13-34(16-7-9-33(2)10-8-16)26-23(18)25(29)30-14-31-26/h4-6,11-14,16,32H,7-10H2,1-3H3,(H2,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482217 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C24H23Cl2FN6O2S/c1-32-9-7-14(8-10-32)33-12-17(21-23(28)29-13-30-24(21)33)16-3-2-4-20(22(16)27)31-36(34,35)15-5-6-18(25)19(26)11-15/h2-6,11-14,31H,7-10H2,1H3,(H2,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482207 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1cc(ccc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17BrFN5O2S/c1-11-8-12(6-7-15(11)21)30(28,29)26-16-5-3-4-13(18(16)22)14-9-27(2)20-17(14)19(23)24-10-25-20/h3-10,26H,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482162 (N-[3-(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimid...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C(C)C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C22H21ClFN5O3S/c1-12(2)29-10-15(19-21(25)26-11-27-22(19)29)14-5-4-6-17(20(14)24)28-33(30,31)13-7-8-18(32-3)16(23)9-13/h4-12,28H,1-3H3,(H2,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482163 (N-[3-(4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C25H25ClF2N6O3S/c1-33-8-6-14(7-9-33)34-12-16(22-24(29)30-13-31-25(22)34)15-4-3-5-19(23(15)28)32-38(35,36)21-10-17(26)20(37-2)11-18(21)27/h3-5,10-14,32H,6-9H2,1-2H3,(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482164 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C25H26ClFN6O3S/c1-32-10-8-15(9-11-32)33-13-18(22-24(28)29-14-30-25(22)33)17-4-3-5-20(23(17)27)31-37(34,35)16-6-7-21(36-2)19(26)12-16/h3-7,12-15,31H,8-11H2,1-2H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482166 (N-{3-[4-Amino-7-(1-isopropyl-piperidin-4-yl)-7H-py...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C(C)C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C27H30ClFN6O3S/c1-16(2)34-11-9-17(10-12-34)35-14-20(24-26(30)31-15-32-27(24)35)19-5-4-6-22(25(19)29)33-39(36,37)18-7-8-23(38-3)21(28)13-18/h4-8,13-17,33H,9-12H2,1-3H3,(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482167 (N-[3-(4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C19H15ClF2N6O3S/c1-28-19-15(18(23)24-8-25-19)17(26-28)9-4-3-5-12(16(9)22)27-32(29,30)14-6-10(20)13(31-2)7-11(14)21/h3-8,27H,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482171 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2Cl)c2c(N)ncnc12 Show InChI InChI=1S/C19H15Cl2N5O2S/c1-26-9-14(16-18(22)23-10-24-19(16)26)13-6-3-7-15(17(13)21)25-29(27,28)12-5-2-4-11(20)8-12/h2-10,25H,1H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482183 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H16ClF2N5O3S/c1-28-8-11(17-19(24)25-9-26-20(17)28)10-4-3-5-14(18(10)23)27-32(29,30)16-6-12(21)15(31-2)7-13(16)22/h3-9,27H,1-2H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482186 (2,3-Dihydro-benzofuran-5-sulfonic acid [3-(4-amino...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3ccc4OCCc4c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C21H18FN5O3S/c1-27-10-15(18-20(23)24-11-25-21(18)27)14-3-2-4-16(19(14)22)26-31(28,29)13-5-6-17-12(9-13)7-8-30-17/h2-6,9-11,26H,7-8H2,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482193 (N-[3-(4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C19H16ClFN6O3S/c1-27-19-15(18(22)23-9-24-19)17(25-27)11-4-3-5-13(16(11)21)26-31(28,29)10-6-7-14(30-2)12(20)8-10/h3-9,26H,1-2H3,(H2,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482196 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C26H29FN6O3S/c1-16-13-18(7-8-22(16)36-3)37(34,35)31-21-6-4-5-19(24(21)27)20-14-33(17-9-11-32(2)12-10-17)26-23(20)25(28)29-15-30-26/h4-8,13-15,17,31H,9-12H2,1-3H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482200 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C21H19F2N5O3S/c1-11-7-17(14(22)8-16(11)31-3)32(29,30)27-15-6-4-5-12(19(15)23)13-9-28(2)21-18(13)20(24)25-10-26-21/h4-10,27H,1-3H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482228 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1ccc(cc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17BrFN5O3S/c1-27-9-13(17-19(23)24-10-25-20(17)27)12-4-3-5-15(18(12)22)26-31(28,29)11-6-7-16(30-2)14(21)8-11/h3-10,26H,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482207 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cc1cc(ccc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17BrFN5O2S/c1-11-8-12(6-7-15(11)21)30(28,29)26-16-5-3-4-13(18(16)22)14-9-27(2)20-17(14)19(23)24-10-25-20/h3-10,26H,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482217 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES CN1CCC(CC1)n1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C24H23Cl2FN6O2S/c1-32-9-7-14(8-10-32)33-12-17(21-23(28)29-13-30-24(21)33)16-3-2-4-20(22(16)27)31-36(34,35)15-5-6-18(25)19(26)11-15/h2-6,11-14,31H,7-10H2,1H3,(H2,28,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482219 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C26H28F2N6O3S/c1-15-11-22(19(27)12-21(15)37-3)38(35,36)32-20-6-4-5-17(24(20)28)18-13-34(16-7-9-33(2)10-8-16)26-23(18)25(29)30-14-31-26/h4-6,11-14,16,32H,7-10H2,1-3H3,(H2,29,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482228 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1ccc(cc1Br)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17BrFN5O3S/c1-27-9-13(17-19(23)24-10-25-20(17)27)12-4-3-5-15(18(12)22)26-31(28,29)11-6-7-16(30-2)14(21)8-11/h3-10,26H,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482162 (N-[3-(4-Amino-7-isopropyl-7H-pyrrolo[2,3-d]pyrimid...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C(C)C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C22H21ClFN5O3S/c1-12(2)29-10-15(19-21(25)26-11-27-22(19)29)14-5-4-6-17(20(14)24)28-33(30,31)13-7-8-18(32-3)16(23)9-13/h4-12,28H,1-3H3,(H2,25,26,27)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482163 (N-[3-(4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C25H25ClF2N6O3S/c1-33-8-6-14(7-9-33)34-12-16(22-24(29)30-13-31-25(22)34)15-4-3-5-19(23(15)28)32-38(35,36)21-10-17(26)20(37-2)11-18(21)27/h3-5,10-14,32H,6-9H2,1-2H3,(H2,29,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482164 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C25H26ClFN6O3S/c1-32-10-8-15(9-11-32)33-13-18(22-24(28)29-14-30-25(22)33)17-4-3-5-20(23(17)27)31-37(34,35)16-6-7-21(36-2)19(26)12-16/h3-7,12-15,31H,8-11H2,1-2H3,(H2,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482166 (N-{3-[4-Amino-7-(1-isopropyl-piperidin-4-yl)-7H-py...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C(C)C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C27H30ClFN6O3S/c1-16(2)34-11-9-17(10-12-34)35-14-20(24-26(30)31-15-32-27(24)35)19-5-4-6-22(25(19)29)33-39(36,37)18-7-8-23(38-3)21(28)13-18/h4-8,13-17,33H,9-12H2,1-3H3,(H2,30,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482167 (N-[3-(4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2nn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C19H15ClF2N6O3S/c1-28-19-15(18(23)24-8-25-19)17(26-28)9-4-3-5-12(16(9)22)27-32(29,30)14-6-10(20)13(31-2)7-11(14)21/h3-8,27H,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM580481 (US11491158, Cmpd 13) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3)c2F)c2c(N)ncnc12 Show InChI	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482183 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1cc(F)c(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H16ClF2N5O3S/c1-28-8-11(17-19(24)25-9-26-20(17)28)10-4-3-5-14(18(10)23)27-32(29,30)16-6-12(21)15(31-2)7-13(16)22/h3-9,27H,1-2H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482186 (2,3-Dihydro-benzofuran-5-sulfonic acid [3-(4-amino...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3ccc4OCCc4c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C21H18FN5O3S/c1-27-10-15(18-20(23)24-11-25-21(18)27)14-3-2-4-16(19(14)22)26-31(28,29)13-5-6-17-12(9-13)7-8-30-17/h2-6,9-11,26H,7-8H2,1H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482161 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17ClFN5O3S/c1-27-9-13(17-19(23)24-10-25-20(17)27)12-4-3-5-15(18(12)22)26-31(28,29)11-6-7-16(30-2)14(21)8-11/h3-10,26H,1-2H3,(H2,23,24,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482196 (N-{3-[4-Amino-7-(1-methyl-piperidin-4-yl)-7H-pyrro...) Show SMILES COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(C)CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C26H29FN6O3S/c1-16-13-18(7-8-22(16)36-3)37(34,35)31-21-6-4-5-19(24(21)27)20-14-33(17-9-11-32(2)12-10-17)26-23(20)25(28)29-15-30-26/h4-8,13-15,17,31H,9-12H2,1-3H3,(H2,28,29,30)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482200 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1cc(F)c(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C21H19F2N5O3S/c1-11-7-17(14(22)8-16(11)31-3)32(29,30)27-15-6-4-5-12(19(15)23)13-9-28(2)21-18(13)20(24)25-10-26-21/h4-10,27H,1-3H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 [540-1115] (Homo sapiens (Human))	BDBM482201 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H13BrF3N5O2S/c1-28-7-10(16-18(24)25-8-26-19(16)28)9-3-2-4-14(17(9)23)27-31(29,30)15-6-12(21)11(20)5-13(15)22/h2-8,27H,1H3,(H2,24,25,26)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The biochemical activity of compounds was determined by incubation with PERK recombinant enzyme (cytoplasmic domain corresponding to residues 540-111...				Citation and Details BindingDB Entry DOI: 10.7270/Q2C2518M
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069365 (CHEMBL3330104 | US9670191, F25) Show SMILES Cc1ccc(Cl)cc1-c1[nH]c(cc1C(N)=O)-c1ccnc(N)n1 Show InChI InChI=1S/C16H14ClN5O/c1-8-2-3-9(17)6-10(8)14-11(15(18)23)7-13(21-14)12-4-5-20-16(19)22-12/h2-7,21H,1H3,(H2,18,23)(H2,19,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497796 (CHEMBL3330127) Show SMILES NC(=O)c1cc([nH]c1-c1cc(ccc1C(F)(F)F)C(F)(F)F)-c1ccnc(N)n1 Show InChI InChI=1S/C17H11F6N5O/c18-16(19,20)7-1-2-10(17(21,22)23)8(5-7)13-9(14(24)29)6-12(27-13)11-3-4-26-15(25)28-11/h1-6,27H,(H2,24,29)(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497792 (CHEMBL3330121) Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2cc(C(N)=O)c(-c3cc(Cl)ccc3C)n2C)cc1 |(23.55,-21.98,;22.21,-21.21,;20.88,-21.99,;19.55,-21.23,;19.54,-19.69,;20.86,-18.9,;22.2,-19.67,;18.2,-18.93,;16.87,-19.71,;15.54,-18.95,;15.53,-17.41,;14.19,-16.65,;14.18,-15.11,;12.84,-14.35,;12.83,-12.81,;14.16,-12.03,;15.5,-12.79,;15.51,-14.33,;16.83,-12.01,;16.98,-10.48,;18.48,-10.15,;19.1,-8.74,;20.63,-8.57,;18.19,-7.5,;19.26,-11.48,;20.8,-11.63,;21.69,-10.38,;23.23,-10.53,;24.12,-9.28,;23.86,-11.93,;22.96,-13.18,;21.43,-13.03,;20.54,-14.28,;18.24,-12.63,;17.46,-13.95,;16.85,-16.63,;18.19,-17.38,)| Show InChI InChI=1S/C28H30ClN7O/c1-18-4-5-19(29)16-22(18)26-23(27(30)37)17-25(35(26)3)24-10-11-31-28(33-24)32-20-6-8-21(9-7-20)36-14-12-34(2)13-15-36/h4-11,16-17H,12-15H2,1-3H3,(H2,30,37)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50497794 (CHEMBL3330126) Show SMILES NC(=O)c1cc([nH]c1-c1cc(OC(F)(F)F)ccc1Cl)-c1ccnc(N)n1 Show InChI InChI=1S/C16H11ClF3N5O2/c17-10-2-1-7(27-16(18,19)20)5-8(10)13-9(14(21)26)6-12(24-13)11-3-4-23-15(22)25-11/h1-6,24H,(H2,21,26)(H2,22,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences srl Curated by ChEMBL					Assay Description Inhibition of recombinant human JAK2 (808-1132 residues) using LPLDKDYYVVREPGQ as substrate by radiometric assay in presence of [33P]-gamma-ATP				Bioorg Med Chem 22: 4998-5012 (2014) Article DOI: 10.1016/j.bmc.2014.06.025 BindingDB Entry DOI: 10.7270/Q28G8PP6
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482161 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C20H17ClFN5O3S/c1-27-9-13(17-19(23)24-10-25-20(17)27)12-4-3-5-15(18(12)22)26-31(28,29)11-6-7-16(30-2)14(21)8-11/h3-10,26H,1-2H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482165 (N-{3-[4-Amino-7-(1-cyclopropyl-piperidin-4-yl)-7H-...) Show SMILES COc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(-c2cn(C3CCN(CC3)C3CC3)c3ncnc(N)c23)c1F Show InChI InChI=1S/C27H28ClFN6O3S/c1-38-23-8-7-18(13-21(23)28)39(36,37)33-22-4-2-3-19(25(22)29)20-14-35(27-24(20)26(30)31-15-32-27)17-9-11-34(12-10-17)16-5-6-16/h2-4,7-8,13-17,33H,5-6,9-12H2,1H3,(H2,30,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482170 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C21H20FN5O3S/c1-12-9-13(7-8-17(12)30-3)31(28,29)26-16-6-4-5-14(19(16)22)15-10-27(2)21-18(15)20(23)24-11-25-21/h4-11,26H,1-3H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482177 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H15FN6O4S/c1-25-9-14(16-18(21)22-10-23-19(16)25)13-3-2-4-15(17(13)20)24-31(29,30)12-7-5-11(6-8-12)26(27)28/h2-10,24H,1H3,(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482181 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3F)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H14BrF2N5O2S/c1-27-8-12(16-18(23)24-9-25-19(16)27)11-3-2-4-14(17(11)22)26-30(28,29)15-6-5-10(20)7-13(15)21/h2-9,26H,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482184 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H14Cl2FN5O2S/c1-27-8-12(16-18(23)24-9-25-19(16)27)11-3-2-4-15(17(11)22)26-30(28,29)10-5-6-13(20)14(21)7-10/h2-9,26H,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482185 (N-[2-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES Cn1cc(-c2cccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)c2F)c2c(N)ncnc12 Show InChI InChI=1S/C19H14Cl2FN5O2S/c1-27-8-14(16-18(23)24-9-25-19(16)27)13-3-2-4-15(17(13)22)26-30(28,29)12-6-10(20)5-11(21)7-12/h2-9,26H,1H3,(H2,23,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482187 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES CCOc1ccc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C22H22FN5O3S/c1-4-31-18-9-8-14(10-13(18)2)32(29,30)27-17-7-5-6-15(20(17)23)16-11-28(3)22-19(16)21(24)25-12-26-22/h5-12,27H,4H2,1-3H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair
Eukaryotic translation initiation factor 2-alpha kinase 3 (Homo sapiens (Human))	BDBM482188 (N-[3-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-...) Show SMILES COc1c(C)cc(cc1C)S(=O)(=O)Nc1cccc(-c2cn(C)c3ncnc(N)c23)c1F Show InChI InChI=1S/C22H22FN5O3S/c1-12-8-14(9-13(2)20(12)31-4)32(29,30)27-17-7-5-6-15(19(17)23)16-10-28(3)22-18(16)21(24)25-11-26-22/h5-11,27H,1-4H3,(H2,24,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.R.L. US Patent					Assay Description Compounds were 3-fold serially diluted in order to obtain from 3.333 to 0.000169 microM final concentration, then incubated for 60 minutes at room te...				US Patent US10918642 (2021) BindingDB Entry DOI: 10.7270/Q24Q7Z3P
					More data for this Ligand-Target Pair

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