Compile Data Set for Download or QSAR

Found 409 hits with Last Name = 'motto' and Initial = 'i'   

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
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13211 ((3S,6S,9aS)-6-[(2S)-2-aminobutanamido]-N-(diphenyl...) Show SMILES CC[C@H](N)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C27H34N4O3/c1-2-21(28)25(32)29-22-15-9-14-20-16-17-23(31(20)27(22)34)26(33)30-24(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-24H,2,9,14-17,28H2,1H3,(H,29,32)(H,30,33)/t20-,21-,22-,23-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	25	-43.1	460	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Baculoviral IAP repeat-containing protein 3 (Homo sapiens (Human))	BDBM13212 ((3S,6S,9aS)-N-(diphenylmethyl)-6-[(2S)-2-(methylam...) Show SMILES CC[C@H](NC)C(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C28H36N4O3/c1-3-22(29-2)26(33)30-23-16-10-15-21-17-18-24(32(21)28(23)35)27(34)31-25(19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14,21-25,29H,3,10,15-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22-,23-,24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	61	-40.9	530	n/a	n/a	n/a	n/a	7.5	23
Universita degli Studi di Milano					Assay Description Fluorescence polarization was measured on an Ultra plate reader (Tecan) at excitation and emission wavelengths of 485 and 530 nm, respectively. The e...				Bioorg Med Chem 17: 5834-56 (2009) Article DOI: 10.1016/j.bmc.2009.07.009 BindingDB Entry DOI: 10.7270/Q28W3BNV
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50237601 (CHEMBL411941 | CycloRGDfV | [(2S,5R,8S,11S)-5-Benz...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C26H38N8O7/c1-14(2)21-25(41)32-16(9-6-10-29-26(27)28)22(38)30-13-19(35)31-18(12-20(36)37)23(39)33-17(24(40)34-21)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-18,21H,6,9-13H2,1-2H3,(H,30,38)(H,31,35)(H,32,41)(H,33,39)(H,34,40)(H,36,37)(H4,27,28,29)/t16-,17+,18-,21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50235980 (2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-...) Show SMILES [#6]-[#6](-[#6])-[#6@@H]-1-[#7](-[#6])-[#6](=O)-[#6@@H](-[#6]-c2ccccc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.130	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.590	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069316 (CHEMBL3403549 | US9688661, 1-[2-Chloro-5-(trifluor...) Show SMILES NC(=O)c1cc(cn1-c1cc(ccc1Cl)C(F)(F)F)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H11ClF3N5O/c19-12-2-1-10(18(20,21)22)6-13(12)27-7-9(5-14(27)16(23)28)15-11-3-4-24-17(11)26-8-25-15/h1-8H,(H2,23,28)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069322 (CHEMBL3403545) Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-11-3-4-13(20)8-15(11)25-9-12(7-16(25)18(21)26)17-14-5-6-22-19(14)24-10-23-17/h3-10H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069326 (CHEMBL3403541 | US9688661, 1-(5-Chloro-2-methylphe...) Show SMILES Cc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-10-2-3-12(19)7-14(10)24-8-11(6-15(24)17(20)25)16-13-4-5-21-18(13)23-9-22-16/h2-9H,1H3,(H2,20,25)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50370689 (CHEMBL392303 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12-,13-,14+,15+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.16	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50370689 (CHEMBL392303 | ST-1646) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6@H]-2-[#6]-[#6]-[#6]-[#6@H]-3-[#6]-[#6]-[#6@@H](-[#7]-3-[#6]-2=O)-[#6]-1=O Show InChI InChI=1S/C21H33N7O6/c22-21(23)24-8-2-5-12-18(32)15-7-6-11-3-1-4-13(20(34)28(11)15)26-14(9-17(30)31)19(33)25-10-16(29)27-12/h11-15,26H,1-10H2,(H,25,33)(H,27,29)(H,30,31)(H4,22,23,24)/t11-,12-,13-,14+,15+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177887 (CHEMBL269913 | CHEMBL556402 | c-[-Arg-Gly-Asp-Acpc...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
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))	BDBM50069366 (CHEMBL3403553) Show SMILES CCc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C19H16ClN5O/c1-2-10-3-4-11(20)7-13(10)14-8-15(25-17(14)18(21)26)16-12-5-6-22-19(12)24-9-23-16/h3-9,25H,2H2,1H3,(H2,21,26)(H,22,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177884 (CHEMBL534934 | c-[-Arg-Gly-Asp-Acpca31-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.43	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177878 (CHEMBL557157 | c[-Arg-Gly-Asp-Acpca36-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O7/c19-18(20)21-3-1-2-9-16(31)22-7-13(27)23-11(6-14(28)29)17(32)25-10-4-8(5-12(10)26)15(30)24-9/h8-12,26H,1-7H2,(H,22,31)(H,23,27)(H,24,30)(H,25,32)(H,28,29)(H4,19,20,21)/t8-,9+,10+,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177884 (CHEMBL534934 | c-[-Arg-Gly-Asp-Acpca31-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10+,11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177878 (CHEMBL557157 | c[-Arg-Gly-Asp-Acpca36-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6@H](-[#8])-[#6@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O7/c19-18(20)21-3-1-2-9-16(31)22-7-13(27)23-11(6-14(28)29)17(32)25-10-4-8(5-12(10)26)15(30)24-9/h8-12,26H,1-7H2,(H,22,31)(H,23,27)(H,24,30)(H,25,32)(H,28,29)(H4,19,20,21)/t8-,9+,10+,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177885 (CHEMBL540622 | c-[-Arg-Gly-Asp-Acpca30-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10+,11+,12+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.56	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177883 (CHEMBL534713 | c[-Arg-Gly-Asp-Acpca35-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O7/c19-18(20)21-3-1-2-9-16(31)22-7-13(27)23-11(6-14(28)29)17(32)25-10-4-8(5-12(10)26)15(30)24-9/h8-12,26H,1-7H2,(H,22,31)(H,23,27)(H,24,30)(H,25,32)(H,28,29)(H4,19,20,21)/t8-,9-,10+,11-,12+/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177885 (CHEMBL540622 | c-[-Arg-Gly-Asp-Acpca30-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6]-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10+,11+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					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))	BDBM50069324 (CHEMBL3403543) Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1cc(N)ncn1 Show InChI InChI=1S/C17H16ClN5O/c1-2-10-3-4-12(18)6-14(10)23-8-11(5-15(23)17(20)24)13-7-16(19)22-9-21-13/h3-9H,2H2,1H3,(H2,20,24)(H2,19,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50069310 (CHEMBL3403552) Show SMILES Cc1ccc(Cl)cc1-c1cc([nH]c1C(N)=O)-c1ncnc2[nH]ccc12 Show InChI InChI=1S/C18H14ClN5O/c1-9-2-3-10(19)6-12(9)13-7-14(24-16(13)17(20)25)15-11-4-5-21-18(11)23-8-22-15/h2-8,24H,1H3,(H2,20,25)(H,21,22,23)	PDB 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 S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					More data for this Ligand-Target Pair
Integrin alpha-V/beta-3 (Homo sapiens (Human))	BDBM50177881 (CHEMBL534712 | c-[-Arg-Gly-Asp-Acpca33-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H]-2-[#6]-[#6]-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O6/c19-18(20)21-5-1-2-11-16(30)22-8-13(26)24-12(7-14(27)28)17(31)23-10-4-3-9(6-10)15(29)25-11/h9-12H,1-8H2,(H,22,30)(H,23,31)(H,24,26)(H,25,29)(H,27,28)(H4,19,20,21)/t9-,10-,11-,12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.93	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alphavbeta3 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					More data for this Ligand-Target Pair
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))	BDBM50069323 (CHEMBL3403544) Show SMILES CCc1ccc(Cl)cc1-n1cc(cc1C(N)=O)-c1cc(NC)ncn1 Show InChI InChI=1S/C18H18ClN5O/c1-3-11-4-5-13(19)7-15(11)24-9-12(6-16(24)18(20)25)14-8-17(21-2)23-10-22-14/h4-10H,3H2,1-2H3,(H2,20,25)(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Nerviano Medical Sciences S.r.l. Curated by ChEMBL					Assay Description Inhibition of recombinant epitope-tagged JAK2 (808 to 1132) (unknown origin) using LPLDKDYYVVREPGQ as substrate by beta-countiing analysis in presenc...				Bioorg Med Chem 23: 2387-407 (2015) Article DOI: 10.1016/j.bmc.2015.03.059 BindingDB Entry DOI: 10.7270/Q2Q52RB6
					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
Integrin alpha-V/beta-5 (Homo sapiens (Human))	BDBM50177883 (CHEMBL534713 | c[-Arg-Gly-Asp-Acpca35-]) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@@H]-2-[#6]-[#6@@H](-[#8])-[#6@@H](-[#6]-2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6]-[#7]-[#6]-1=O Show InChI InChI=1S/C18H29N7O7/c19-18(20)21-3-1-2-9-16(31)22-7-13(27)23-11(6-14(28)29)17(32)25-10-4-8(5-12(10)26)15(30)24-9/h8-12,26H,1-7H2,(H,22,31)(H,23,27)(H,24,30)(H,25,32)(H,28,29)(H4,19,20,21)/t8-,9-,10+,11-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.1	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Parma Curated by ChEMBL					Assay Description Displacement of [125I]-echistatin from alpha-v-beta-5 integrin receptor				J Med Chem 48: 7675-87 (2005) Article DOI: 10.1021/jm050698x BindingDB Entry DOI: 10.7270/Q2GX4CBT
					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 [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))	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 (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))	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 [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

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