Compile Data Set for Download or QSAR

Found 241 hits with Last Name = 'pulici' and Initial = 'm'   

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
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7163 (3-Phenylacetamidoaminopyrazole deriv. 40 | CS10 | ...) Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc(n[nH]1)C1CC1 Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7159 (3-Phenylacetamidoaminopyrazole deriv. 36 | N-(5-Cy...) Show SMILES Fc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C20H18FN3O/c21-17-3-1-2-16(11-17)14-6-4-13(5-7-14)10-20(25)22-19-12-18(23-24-19)15-8-9-15/h1-7,11-12,15H,8-10H2,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7162 (3-Phenylacetamidoaminopyrazole deriv. 39 | 4 -{2-[...) Show SMILES NC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H20N4O2/c22-21(27)17-9-5-15(6-10-17)14-3-1-13(2-4-14)11-20(26)23-19-12-18(24-25-19)16-7-8-16/h1-6,9-10,12,16H,7-8,11H2,(H2,22,27)(H2,23,24,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50327930 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C25H25N5O3S/c1-16(17-5-3-2-4-6-17)26-25(32)21-15-20-22(34-21)23(29-28-20)27-24(31)18-7-9-19(10-8-18)30-11-13-33-14-12-30/h2-10,15-16H,11-14H2,1H3,(H,26,32)(H2,27,28,29,31)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327929 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES C[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7160 (3-Phenylacetamidoaminopyrazole deriv. 37 | N-(5-Cy...) Show SMILES Cc1cccc(c1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H21N3O/c1-14-3-2-4-18(11-14)16-7-5-15(6-8-16)12-21(25)22-20-13-19(23-24-20)17-9-10-17/h2-8,11,13,17H,9-10,12H2,1H3,(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair				3D Structure (docked)
Aurora kinase A (Homo sapiens (Human))	BDBM50327928 (3-({[4-(4-METHYLPIPERAZIN-1-YL)PHENYL]CARBONYL}AMI...) Show SMILES CC[C@@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327923 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CC[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C27H30N6O2S/c1-3-21(18-7-5-4-6-8-18)28-27(35)23-17-22-24(36-23)25(31-30-22)29-26(34)19-9-11-20(12-10-19)33-15-13-32(2)14-16-33/h4-12,17,21H,3,13-16H2,1-2H3,(H,28,35)(H2,29,30,31,34)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327927 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES O=C(NCc1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 Show InChI InChI=1S/C24H23N5O3S/c30-23(17-6-8-18(9-7-17)29-10-12-32-13-11-29)26-22-21-19(27-28-22)14-20(33-21)24(31)25-15-16-4-2-1-3-5-16/h1-9,14H,10-13,15H2,(H,25,31)(H2,26,27,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7161 (3-Phenylacetamidoaminopyrazole deriv. 38 | 4 -{2-[...) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(CC(=O)Nc2cc(n[nH]2)C2CC2)cc1 Show InChI InChI=1S/C21H19N3O3/c25-20(22-19-12-18(23-24-19)16-7-8-16)11-13-1-3-14(4-2-13)15-5-9-17(10-6-15)21(26)27/h1-6,9-10,12,16H,7-8,11H2,(H,26,27)(H2,22,23,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327915 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES C[C@H](NC(=O)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCN(C)CC3)c2s1)c1ccccc1 |r| Show InChI InChI=1S/C26H28N6O2S/c1-17(18-6-4-3-5-7-18)27-26(34)22-16-21-23(35-22)24(30-29-21)28-25(33)19-8-10-20(11-9-19)32-14-12-31(2)13-15-32/h3-11,16-17H,12-15H2,1-2H3,(H,27,34)(H2,28,29,30,33)/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7121 (3-Aminopyrazole deriv. 36 | N-(5-Cyclopropyl-1H-py...) Show SMILES CC(C(=O)Nc1cc(n[nH]1)C1CC1)c1ccc(cc1)N1CCCS1(=O)=O Show InChI InChI=1S/C18H22N4O3S/c1-12(18(23)19-17-11-16(20-21-17)14-3-4-14)13-5-7-15(8-6-13)22-9-2-10-26(22,24)25/h5-8,11-12,14H,2-4,9-10H2,1H3,(H2,19,20,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	7.4	22
Pharmacia Italia					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence ATP/[gamma-33P] ATP. After in...				J Med Chem 47: 3367-80 (2004) Article DOI: 10.1021/jm031145u BindingDB Entry DOI: 10.7270/Q2RX998G
					More data for this Ligand-Target Pair
Fibroblast growth factor receptor 1 (Homo sapiens (Human))	BDBM50327912 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of FGFR1				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					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
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 [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))	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 (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 (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))	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))	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))	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 (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 (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))	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 [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))	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 [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))	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 (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))	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))	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))	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))	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))	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))	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
Aurora kinase A (Homo sapiens (Human))	BDBM50327926 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 |r| Show InChI InChI=1S/C30H35N7O3S/c1-35-11-13-37(14-12-35)23-9-7-22(8-10-23)29(38)32-28-27-24(33-34-28)19-26(41-27)30(39)31-25(21-5-3-2-4-6-21)20-36-15-17-40-18-16-36/h2-10,19,25H,11-18,20H2,1H3,(H,31,39)(H2,32,33,34,38)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327912 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 3 (Homo sapiens (Human))	BDBM50327912 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES O=C(N[C@H](CN1CCCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C29H32N6O3S/c36-28(21-8-10-22(11-9-21)35-14-16-38-17-15-35)31-27-26-23(32-33-27)18-25(39-26)29(37)30-24(19-34-12-4-5-13-34)20-6-2-1-3-7-20/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of VEGFR3				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327925 (3-(4-Morpholin-4-yl-benzoylamino)-1H-thieno[3,2-c]...) Show SMILES O=C(N[C@H](CN1CCOCC1)c1ccccc1)c1cc2n[nH]c(NC(=O)c3ccc(cc3)N3CCOCC3)c2s1 |r| Show InChI InChI=1S/C29H32N6O4S/c36-28(21-6-8-22(9-7-21)35-12-16-39-17-13-35)31-27-26-23(32-33-27)18-25(40-26)29(37)30-24(20-4-2-1-3-5-20)19-34-10-14-38-15-11-34/h1-9,18,24H,10-17,19H2,(H,30,37)(H2,31,32,33,36)/t24-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50327924 (3-[4-(4-Methyl-piperazin-1-yl)-benzoylamino]-1H-th...) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)Nc1[nH]nc2cc(sc12)C(=O)N[C@H](CN1CCCC1)c1ccccc1 |r| Show InChI InChI=1S/C30H35N7O2S/c1-35-15-17-37(18-16-35)23-11-9-22(10-12-23)29(38)32-28-27-24(33-34-28)19-26(40-27)30(39)31-25(20-36-13-5-6-14-36)21-7-3-2-4-8-21/h2-4,7-12,19,25H,5-6,13-18,20H2,1H3,(H,31,39)(H2,32,33,34,38)/t25-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences-Oncology Curated by ChEMBL					Assay Description Inhibition of AurA				Bioorg Med Chem 18: 7113-20 (2010) Article DOI: 10.1016/j.bmc.2010.07.048 BindingDB Entry DOI: 10.7270/Q2Q240GM
					More data for this Ligand-Target Pair

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