Compile Data Set for Download or QSAR

Found 130 hits with Last Name = 'pickard' and Initial = 'l'   

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
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385915 (CHEMBL2042135) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526266 (CHEMBL4565193) Show SMILES Clc1cc(N[C@H]2CC[C@@H](CC2)NC(=O)CN2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 |r,wU:5.4,wD:8.11,(42.84,-42.43,;44.17,-43.19,;44.17,-44.73,;45.5,-45.5,;45.5,-47.04,;46.84,-47.81,;48.17,-47.03,;49.5,-47.81,;49.5,-49.35,;48.16,-50.11,;46.83,-49.34,;50.83,-50.12,;52.17,-49.36,;52.17,-47.82,;53.5,-50.13,;54.84,-49.37,;56.17,-50.14,;57.5,-49.38,;57.52,-47.84,;56.18,-47.06,;54.84,-47.83,;46.84,-44.73,;48.3,-45.19,;49.2,-43.95,;48.29,-42.71,;49.01,-41.35,;50.55,-41.3,;51.28,-39.94,;50.46,-38.64,;50.88,-37.15,;49.6,-36.29,;48.38,-37.24,;48.91,-38.69,;48.19,-40.05,;46.83,-43.19,;45.5,-42.41,)| Show InChI InChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526281 (CHEMBL4576457) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:7.10,wD:4.3,(27.08,-51.1,;25.75,-50.32,;25.75,-48.78,;24.41,-51.09,;23.08,-50.31,;23.08,-48.77,;21.75,-47.99,;20.42,-48.77,;20.41,-50.31,;21.74,-51.08,;19.09,-48,;19.09,-46.46,;17.76,-45.7,;17.76,-44.16,;16.42,-43.39,;19.09,-43.38,;20.42,-44.16,;21.87,-43.68,;22.78,-44.91,;21.89,-46.16,;20.42,-45.69,;22.59,-42.32,;24.13,-42.27,;24.86,-40.91,;24.04,-39.61,;24.46,-38.12,;23.18,-37.25,;21.96,-38.21,;22.49,-39.66,;21.78,-41.02,)| Show InChI InChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30)/t15-,16-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385916 (CHEMBL2042136) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385922 (CHEMBL2042035) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)s1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-13-17(8-10-21(24)27(33)36)22-12-18(14-34-26(22)32)25-11-9-19(38-25)15-35(2)3/h4-14,16H,15H2,1-3H3,(H2,32,34)(H2,33,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385923 (CHEMBL2042036) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(C)c(CN(C)C)s1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O2S/c1-16-11-25(39-26(16)15-36(3)4)19-12-22(27(33)35-14-19)18-9-10-21(28(34)37)24(13-18)38-17(2)20-7-5-6-8-23(20)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385924 (CHEMBL2042037) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1sc(CN(C)C)cc1C)c1ccccc1C(F)(F)F Show InChI InChI=1S/C29H29F3N4O2S/c1-16-11-20(15-36(3)4)39-26(16)19-12-23(27(33)35-14-19)18-9-10-22(28(34)37)25(13-18)38-17(2)21-7-5-6-8-24(21)29(30,31)32/h5-14,17H,15H2,1-4H3,(H2,33,35)(H2,34,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385916 (CHEMBL2042136) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C28H27F3N4O2S/c1-16(20-6-4-5-7-23(20)28(29,30)31)37-24-12-18(8-9-21(24)27(33)36)22-11-19(13-34-26(22)32)25-10-17(15-38-25)14-35(2)3/h4-13,15-16H,14H2,1-3H3,(H2,32,34)(H2,33,36)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50385915 (CHEMBL2042135) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of GSK3beta incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526267 (CHEMBL4444939) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:4.7,wD:1.0,(81.96,-32.54,;80.63,-31.77,;80.63,-30.22,;79.3,-29.44,;77.97,-30.23,;77.96,-31.76,;79.29,-32.53,;76.64,-29.46,;76.63,-27.91,;75.3,-27.15,;75.3,-25.61,;73.97,-24.84,;76.63,-24.83,;77.97,-25.61,;79.42,-25.13,;80.33,-26.36,;79.44,-27.61,;77.97,-27.14,;80.14,-23.77,;81.68,-23.72,;82.41,-22.36,;81.59,-21.06,;82.01,-19.57,;80.73,-18.7,;79.51,-19.66,;80.04,-21.11,;79.32,-22.47,)| Show InChI InChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25)/t13-,14-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385914 (CHEMBL2042042) Show SMILES C[C@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526277 (CHEMBL4588737) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc3nc(Nc4ccccc4)[nH]c3cc2F)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-22-13-24(27)34-36-23(15-30-25(22)36)18-11-20-21(12-19(18)28)33-26(32-20)31-17-5-3-2-4-6-17/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526266 (CHEMBL4565193) Show SMILES Clc1cc(N[C@H]2CC[C@@H](CC2)NC(=O)CN2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 |r,wU:5.4,wD:8.11,(42.84,-42.43,;44.17,-43.19,;44.17,-44.73,;45.5,-45.5,;45.5,-47.04,;46.84,-47.81,;48.17,-47.03,;49.5,-47.81,;49.5,-49.35,;48.16,-50.11,;46.83,-49.34,;50.83,-50.12,;52.17,-49.36,;52.17,-47.82,;53.5,-50.13,;54.84,-49.37,;56.17,-50.14,;57.5,-49.38,;57.52,-47.84,;56.18,-47.06,;54.84,-47.83,;46.84,-44.73,;48.3,-45.19,;49.2,-43.95,;48.29,-42.71,;49.01,-41.35,;50.55,-41.3,;51.28,-39.94,;50.46,-38.64,;50.88,-37.15,;49.6,-36.29,;48.38,-37.24,;48.91,-38.69,;48.19,-40.05,;46.83,-43.19,;45.5,-42.41,)| Show InChI InChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526278 (CHEMBL4453631) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H27ClN8/c1-34-11-9-17(10-12-34)15-28-22-14-24(27)33-35-23(16-29-25(22)35)18-7-8-20-21(13-18)32-26(31-20)30-19-5-3-2-4-6-19/h2-8,13-14,16-17,28H,9-12,15H2,1H3,(H2,30,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385928 (CHEMBL2042038) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCCCC2)s1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C31H31F3N4O2S/c1-19(23-7-3-4-8-26(23)31(32,33)34)40-27-16-20(9-11-24(27)30(36)39)25-15-21(17-37-29(25)35)28-12-10-22(41-28)18-38-13-5-2-6-14-38/h3-4,7-12,15-17,19H,2,5-6,13-14,18H2,1H3,(H2,35,37)(H2,36,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526269 (CHEMBL4516160) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc(F)c3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-21-13-23(27)34-36-22(15-30-25(21)36)17-11-19(28)24-20(12-17)32-26(33-24)31-18-5-3-2-4-6-18/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Tyrosine-protein kinase Lck (Homo sapiens (Human))	BDBM50385915 (CHEMBL2042135) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of LCK incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526267 (CHEMBL4444939) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:4.7,wD:1.0,(81.96,-32.54,;80.63,-31.77,;80.63,-30.22,;79.3,-29.44,;77.97,-30.23,;77.96,-31.76,;79.29,-32.53,;76.64,-29.46,;76.63,-27.91,;75.3,-27.15,;75.3,-25.61,;73.97,-24.84,;76.63,-24.83,;77.97,-25.61,;79.42,-25.13,;80.33,-26.36,;79.44,-27.61,;77.97,-27.14,;80.14,-23.77,;81.68,-23.72,;82.41,-22.36,;81.59,-21.06,;82.01,-19.57,;80.73,-18.7,;79.51,-19.66,;80.04,-21.11,;79.32,-22.47,)| Show InChI InChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25)/t13-,14-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526280 (CHEMBL4534769) Show SMILES CN([C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:2.1,wD:5.8,(30.99,-48.43,;32.32,-47.65,;33.65,-48.42,;34.98,-47.64,;36.32,-48.42,;36.31,-49.96,;34.97,-50.73,;33.65,-49.96,;37.65,-50.74,;37.63,-52.28,;38.96,-53.05,;40.3,-52.29,;40.31,-50.75,;38.98,-49.97,;32.32,-46.11,;30.99,-45.35,;30.99,-43.81,;29.65,-43.04,;32.32,-43.03,;33.65,-43.81,;35.11,-43.33,;36.01,-44.56,;35.12,-45.81,;33.66,-45.34,;35.83,-41.97,;37.37,-41.92,;38.09,-40.56,;37.27,-39.26,;37.7,-37.77,;36.41,-36.9,;35.2,-37.86,;35.72,-39.31,;35.01,-40.67,)| Show InChI InChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385919 (CHEMBL2042031) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN(C)C)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C30H29F3N4O2/c1-18(23-6-4-5-7-26(23)30(31,32)33)39-27-15-21(12-13-24(27)29(35)38)25-14-22(16-36-28(25)34)20-10-8-19(9-11-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526280 (CHEMBL4534769) Show SMILES CN([C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:2.1,wD:5.8,(30.99,-48.43,;32.32,-47.65,;33.65,-48.42,;34.98,-47.64,;36.32,-48.42,;36.31,-49.96,;34.97,-50.73,;33.65,-49.96,;37.65,-50.74,;37.63,-52.28,;38.96,-53.05,;40.3,-52.29,;40.31,-50.75,;38.98,-49.97,;32.32,-46.11,;30.99,-45.35,;30.99,-43.81,;29.65,-43.04,;32.32,-43.03,;33.65,-43.81,;35.11,-43.33,;36.01,-44.56,;35.12,-45.81,;33.66,-45.34,;35.83,-41.97,;37.37,-41.92,;38.09,-40.56,;37.27,-39.26,;37.7,-37.77,;36.41,-36.9,;35.2,-37.86,;35.72,-39.31,;35.01,-40.67,)| Show InChI InChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	122	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526279 (CHEMBL4450996) Show SMILES CN1CCC(CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]c(Nc3ccccc3)nc2c1 Show InChI InChI=1S/C25H25ClN8/c1-33-11-9-18(10-12-33)28-21-14-23(26)32-34-22(15-27-24(21)34)16-7-8-19-20(13-16)31-25(30-19)29-17-5-3-2-4-6-17/h2-8,13-15,18,28H,9-12H2,1H3,(H2,29,30,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526282 (CHEMBL4530582) Show SMILES CN1CCC(CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C19H20ClN7/c1-26-6-4-14(5-7-26)23-16-9-18(20)25-27-17(11-21-19(16)27)12-2-3-15-13(8-12)10-22-24-15/h2-3,8-11,14,23H,4-7H2,1H3,(H,22,24)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526278 (CHEMBL4453631) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H27ClN8/c1-34-11-9-17(10-12-34)15-28-22-14-24(27)33-35-23(16-29-25(22)35)18-7-8-20-21(13-18)32-26(31-20)30-19-5-3-2-4-6-19/h2-8,13-14,16-17,28H,9-12,15H2,1H3,(H2,30,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526281 (CHEMBL4576457) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:7.10,wD:4.3,(27.08,-51.1,;25.75,-50.32,;25.75,-48.78,;24.41,-51.09,;23.08,-50.31,;23.08,-48.77,;21.75,-47.99,;20.42,-48.77,;20.41,-50.31,;21.74,-51.08,;19.09,-48,;19.09,-46.46,;17.76,-45.7,;17.76,-44.16,;16.42,-43.39,;19.09,-43.38,;20.42,-44.16,;21.87,-43.68,;22.78,-44.91,;21.89,-46.16,;20.42,-45.69,;22.59,-42.32,;24.13,-42.27,;24.86,-40.91,;24.04,-39.61,;24.46,-38.12,;23.18,-37.25,;21.96,-38.21,;22.49,-39.66,;21.78,-41.02,)| Show InChI InChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30)/t15-,16-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526269 (CHEMBL4516160) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc(F)c3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-21-13-23(27)34-36-22(15-30-25(21)36)17-11-19(28)24-20(12-17)32-26(33-24)31-18-5-3-2-4-6-18/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526281 (CHEMBL4576457) Show SMILES CC(=O)N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:7.10,wD:4.3,(27.08,-51.1,;25.75,-50.32,;25.75,-48.78,;24.41,-51.09,;23.08,-50.31,;23.08,-48.77,;21.75,-47.99,;20.42,-48.77,;20.41,-50.31,;21.74,-51.08,;19.09,-48,;19.09,-46.46,;17.76,-45.7,;17.76,-44.16,;16.42,-43.39,;19.09,-43.38,;20.42,-44.16,;21.87,-43.68,;22.78,-44.91,;21.89,-46.16,;20.42,-45.69,;22.59,-42.32,;24.13,-42.27,;24.86,-40.91,;24.04,-39.61,;24.46,-38.12,;23.18,-37.25,;21.96,-38.21,;22.49,-39.66,;21.78,-41.02,)| Show InChI InChI=1S/C21H22ClN7O/c1-12(30)25-15-3-5-16(6-4-15)26-18-9-20(22)28-29-19(11-23-21(18)29)13-2-7-17-14(8-13)10-24-27-17/h2,7-11,15-16,26H,3-6H2,1H3,(H,24,27)(H,25,30)/t15-,16-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526284 (CHEMBL4568715) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]ncc3c2)CC1 Show InChI InChI=1S/C20H22ClN7/c1-27-6-4-13(5-7-27)10-22-17-9-19(21)26-28-18(12-23-20(17)28)14-2-3-16-15(8-14)11-24-25-16/h2-3,8-9,11-13,22H,4-7,10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526277 (CHEMBL4588737) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc3nc(Nc4ccccc4)[nH]c3cc2F)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-22-13-24(27)34-36-23(15-30-25(22)36)18-11-20-21(12-19(18)28)33-26(32-20)31-17-5-3-2-4-6-17/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526273 (CHEMBL4538288) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2F)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-11-9-16(10-12-35)14-29-20-13-22(27)34-36-21(15-30-25(20)36)18-7-8-19-24(23(18)28)33-26(32-19)31-17-5-3-2-4-6-17/h2-8,13,15-16,29H,9-12,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526273 (CHEMBL4538288) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2F)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-11-9-16(10-12-35)14-29-20-13-22(27)34-36-21(15-30-25(20)36)18-7-8-19-24(23(18)28)33-26(32-19)31-17-5-3-2-4-6-17/h2-8,13,15-16,29H,9-12,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526279 (CHEMBL4450996) Show SMILES CN1CCC(CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]c(Nc3ccccc3)nc2c1 Show InChI InChI=1S/C25H25ClN8/c1-33-11-9-18(10-12-33)28-21-14-23(26)32-34-22(15-27-24(21)34)16-7-8-19-20(13-16)31-25(30-19)29-17-5-3-2-4-6-17/h2-8,13-15,18,28H,9-12H2,1H3,(H2,29,30,31)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526280 (CHEMBL4534769) Show SMILES CN([C@H]1CC[C@@H](CC1)N1CCOCC1)c1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:2.1,wD:5.8,(30.99,-48.43,;32.32,-47.65,;33.65,-48.42,;34.98,-47.64,;36.32,-48.42,;36.31,-49.96,;34.97,-50.73,;33.65,-49.96,;37.65,-50.74,;37.63,-52.28,;38.96,-53.05,;40.3,-52.29,;40.31,-50.75,;38.98,-49.97,;32.32,-46.11,;30.99,-45.35,;30.99,-43.81,;29.65,-43.04,;32.32,-43.03,;33.65,-43.81,;35.11,-43.33,;36.01,-44.56,;35.12,-45.81,;33.66,-45.34,;35.83,-41.97,;37.37,-41.92,;38.09,-40.56,;37.27,-39.26,;37.7,-37.77,;36.41,-36.9,;35.2,-37.86,;35.72,-39.31,;35.01,-40.67,)| Show InChI InChI=1S/C24H28ClN7O/c1-30(18-3-5-19(6-4-18)31-8-10-33-11-9-31)21-13-23(25)29-32-22(15-26-24(21)32)16-2-7-20-17(12-16)14-27-28-20/h2,7,12-15,18-19H,3-6,8-11H2,1H3,(H,27,28)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526271 (CHEMBL4468785) Show SMILES Clc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 Show InChI InChI=1S/C18H17ClN6O/c19-17-8-15(22-13-3-5-26-6-4-13)18-20-10-16(25(18)24-17)11-1-2-14-12(7-11)9-21-23-14/h1-2,7-10,13,22H,3-6H2,(H,21,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526275 (CHEMBL4515949) Show SMILES Clc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]c(Nc5ccccc5)nc4c3)n2n1 Show InChI InChI=1S/C24H22ClN7O/c25-22-13-20(27-17-8-10-33-11-9-17)23-26-14-21(32(23)31-22)15-6-7-18-19(12-15)30-24(29-18)28-16-4-2-1-3-5-16/h1-7,12-14,17,27H,8-11H2,(H2,28,29,30)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385913 (CHEMBL2042032) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cccc(CN(C)C)c1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C30H29F3N4O2/c1-18(23-9-4-5-10-26(23)30(31,32)33)39-27-15-21(11-12-24(27)29(35)38)25-14-22(16-36-28(25)34)20-8-6-7-19(13-20)17-37(2)3/h4-16,18H,17H2,1-3H3,(H2,34,36)(H2,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526270 (CHEMBL4554474) Show SMILES COc1cc(ccc1C(N)=O)-c1cnc2ccc(NC(C)C)nn12 Show InChI InChI=1S/C17H19N5O2/c1-10(2)20-15-6-7-16-19-9-13(22(16)21-15)11-4-5-12(17(18)23)14(8-11)24-3/h4-10H,1-3H3,(H2,18,23)(H,20,21)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	218	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526266 (CHEMBL4565193) Show SMILES Clc1cc(N[C@H]2CC[C@@H](CC2)NC(=O)CN2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 |r,wU:5.4,wD:8.11,(42.84,-42.43,;44.17,-43.19,;44.17,-44.73,;45.5,-45.5,;45.5,-47.04,;46.84,-47.81,;48.17,-47.03,;49.5,-47.81,;49.5,-49.35,;48.16,-50.11,;46.83,-49.34,;50.83,-50.12,;52.17,-49.36,;52.17,-47.82,;53.5,-50.13,;54.84,-49.37,;56.17,-50.14,;57.5,-49.38,;57.52,-47.84,;56.18,-47.06,;54.84,-47.83,;46.84,-44.73,;48.3,-45.19,;49.2,-43.95,;48.29,-42.71,;49.01,-41.35,;50.55,-41.3,;51.28,-39.94,;50.46,-38.64,;50.88,-37.15,;49.6,-36.29,;48.38,-37.24,;48.91,-38.69,;48.19,-40.05,;46.83,-43.19,;45.5,-42.41,)| Show InChI InChI=1S/C25H29ClN8O2/c26-23-12-21(25-27-14-22(34(25)32-23)16-1-6-20-17(11-16)13-28-31-20)29-18-2-4-19(5-3-18)30-24(35)15-33-7-9-36-10-8-33/h1,6,11-14,18-19,29H,2-5,7-10,15H2,(H,28,31)(H,30,35)/t18-,19-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526271 (CHEMBL4468785) Show SMILES Clc1cc(NC2CCOCC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 Show InChI InChI=1S/C18H17ClN6O/c19-17-8-15(22-13-3-5-26-6-4-13)18-20-10-16(25(18)24-17)11-1-2-14-12(7-11)9-21-23-14/h1-2,7-10,13,22H,3-6H2,(H,21,23)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526277 (CHEMBL4588737) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc3nc(Nc4ccccc4)[nH]c3cc2F)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-22-13-24(27)34-36-23(15-30-25(22)36)18-11-20-21(12-19(18)28)33-26(32-20)31-17-5-3-2-4-6-17/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM192719 (KIRA analog, 1) Show SMILES CC(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C27H23F3N6O/c1-15(2)25-35-22(23-24(31)32-12-13-36(23)25)20-10-11-21(19-9-4-3-8-18(19)20)34-26(37)33-17-7-5-6-16(14-17)27(28,29)30/h3-15H,1-2H3,(H2,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526287 (CHEMBL4525939) Show SMILES Clc1cc(NCC2CC2)c2ncc(-c3ccc4[nH]ncc4c3)n2n1 Show InChI InChI=1S/C17H15ClN6/c18-16-6-14(19-7-10-1-2-10)17-20-9-15(24(17)23-16)11-3-4-13-12(5-11)8-21-22-13/h3-6,8-10,19H,1-2,7H2,(H,21,22)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Nek2 (Homo sapiens (Human))	BDBM50385929 (CHEMBL2042039) Show SMILES CC(Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)s1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C30H29F3N4O3S/c1-18(22-4-2-3-5-25(22)30(31,32)33)40-26-15-19(6-8-23(26)29(35)38)24-14-20(16-36-28(24)34)27-9-7-21(41-27)17-37-10-12-39-13-11-37/h2-9,14-16,18H,10-13,17H2,1H3,(H2,34,36)(H2,35,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	318	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of Nek2 using 5-FAM-KKLNRTLSVA-COOH as substrate after 1 hr by caliper method				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526267 (CHEMBL4444939) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1cc(Cl)nn2c(cnc12)-c1ccc2[nH]ncc2c1 |r,wU:4.7,wD:1.0,(81.96,-32.54,;80.63,-31.77,;80.63,-30.22,;79.3,-29.44,;77.97,-30.23,;77.96,-31.76,;79.29,-32.53,;76.64,-29.46,;76.63,-27.91,;75.3,-27.15,;75.3,-25.61,;73.97,-24.84,;76.63,-24.83,;77.97,-25.61,;79.42,-25.13,;80.33,-26.36,;79.44,-27.61,;77.97,-27.14,;80.14,-23.77,;81.68,-23.72,;82.41,-22.36,;81.59,-21.06,;82.01,-19.57,;80.73,-18.7,;79.51,-19.66,;80.04,-21.11,;79.32,-22.47,)| Show InChI InChI=1S/C19H20ClN7/c20-18-8-16(24-14-4-2-13(21)3-5-14)19-22-10-17(27(19)26-18)11-1-6-15-12(7-11)9-23-25-15/h1,6-10,13-14,24H,2-5,21H2,(H,23,25)/t13-,14-	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526269 (CHEMBL4516160) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2cc(F)c3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H26ClFN8/c1-35-9-7-16(8-10-35)14-29-21-13-23(27)34-36-22(15-30-25(21)36)17-11-19(28)24-20(12-17)32-26(33-24)31-18-5-3-2-4-6-18/h2-6,11-13,15-16,29H,7-10,14H2,1H3,(H2,31,32,33)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase D2 (Homo sapiens (Human))	BDBM50385915 (CHEMBL2042135) Show SMILES C[C@@H](Oc1cc(ccc1C(N)=O)-c1cc(cnc1N)-c1cc(CN(C)C)cs1)\C=C/C(F)(F)F |r| Show InChI InChI=1S/C24H25F3N4O2S/c1-14(6-7-24(25,26)27)33-20-10-16(4-5-18(20)23(29)32)19-9-17(11-30-22(19)28)21-8-15(13-34-21)12-31(2)3/h4-11,13-14H,12H2,1-3H3,(H2,28,30)(H2,29,32)/b7-6-/t14-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
The Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of PKD2 incubated for 30 mins prior to substrate addition study done at apparent ATP Km for enzyme				J Med Chem 55: 3228-41 (2012) Article DOI: 10.1021/jm201683b BindingDB Entry DOI: 10.7270/Q2Q81F4F
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526278 (CHEMBL4453631) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]c(Nc4ccccc4)nc3c2)CC1 Show InChI InChI=1S/C26H27ClN8/c1-34-11-9-17(10-12-34)15-28-22-14-24(27)33-35-23(16-29-25(22)35)18-7-8-20-21(13-18)32-26(31-20)30-19-5-3-2-4-6-19/h2-8,13-14,16-17,28H,9-12,15H2,1H3,(H2,30,31,32)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM192719 (KIRA analog, 1) Show SMILES CC(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C27H23F3N6O/c1-15(2)25-35-22(23-24(31)32-12-13-36(23)25)20-10-11-21(19-9-4-3-8-18(19)20)34-26(37)33-17-7-5-6-16(14-17)27(28,29)30/h3-15H,1-2H3,(H2,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Displacement for LanthaScreen tracer from dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) ATP binding site KEN domain after 60 mi...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM192719 (KIRA analog, 1) Show SMILES CC(C)c1nc(-c2ccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c3ccccc23)c2c(N)nccn12 Show InChI InChI=1S/C27H23F3N6O/c1-15(2)25-35-22(23-24(31)32-12-13-36(23)25)20-10-11-21(19-9-4-3-8-18(19)20)34-26(37)33-17-7-5-6-16(14-17)27(28,29)30/h3-15H,1-2H3,(H2,31,32)(H2,33,34,37)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) -dependent cleavage of FAM-labeled stem-loop RNA containing the XBP...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 (Homo sapiens (Human))	BDBM50526284 (CHEMBL4568715) Show SMILES CN1CCC(CNc2cc(Cl)nn3c(cnc23)-c2ccc3[nH]ncc3c2)CC1 Show InChI InChI=1S/C20H22ClN7/c1-27-6-4-13(5-7-27)10-22-17-9-19(21)26-28-18(12-23-20(17)28)14-2-3-16-15(8-14)11-24-25-16/h2-3,8-9,11-13,22H,4-7,10H2,1H3,(H,24,25)	PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
University of Leicester Curated by ChEMBL					Assay Description Inhibition of dephosphorylated IRE1alpha (G547 to L977 residues) (unknown origin) autophosphorylation at S724 after 25 mins in presence of ATP by dis...				J Med Chem 62: 2447-2465 (2019) Article DOI: 10.1021/acs.jmedchem.8b01721 BindingDB Entry DOI: 10.7270/Q2J969TF
					More data for this Ligand-Target Pair

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