Compile Data Set for Download or QSAR
Found 52 Enz. Inhib. hit(s) with all data for entry = 50011475
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547978(CHEMBL4758147)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H20Cl2FN7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-19(28)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-18(21)27/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
Affinity DataKi:  0.25nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547986(CHEMBL4786638)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14-
Affinity DataKi:  1.40nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547968(CHEMBL4780489)
Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F
Show InChI InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24)
Affinity DataKi:  2.30nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547981(CHEMBL4740654)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1
Show InChI InChI=1S/C24H20ClF3N6O3S/c1-12-8-14-21(31-11-32-23(14)30-7-6-29)15(9-12)24(35)33-22-16(25)3-5-18(20(22)28)34-38(36,37)19-10-13(26)2-4-17(19)27/h2-5,8-11,34H,6-7,29H2,1H3,(H,33,35)(H,30,31,32)
Affinity DataKi:  5.20nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547987(CHEMBL4760343)
Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F
Show InChI InChI=1S/C26H26ClFN6O3S2.ClH/c27-19-10-11-20(34-39(36,37)13-15-4-2-1-3-5-15)21(28)23(19)33-26(35)18-12-38-24-22(18)30-14-31-25(24)32-17-8-6-16(29)7-9-17;/h1-5,10-12,14,16-17,34H,6-9,13,29H2,(H,33,35)(H,30,31,32);1H/t16-,17-;
Affinity DataKi:  55nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547982(CHEMBL4749836)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1
Show InChI InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m1/s1
Affinity DataKi:  70nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547988(CHEMBL4781285)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F
Show InChI InChI=1S/C25H23Cl2FN6O3S2/c26-16-3-1-2-4-19(16)39(36,37)34-18-10-9-17(27)22(20(18)28)33-25(35)15-11-38-23-21(15)30-12-31-24(23)32-14-7-5-13(29)6-8-14/h1-4,9-14,34H,5-8,29H2,(H,33,35)(H,30,31,32)/t13-,14-
Affinity DataKi:  110nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase B-raf(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547984(CHEMBL4753081)
Show SMILES Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1
Show InChI InChI=1S/C28H26ClF3N6O3S.ClH/c1-14-10-18-25(34-13-35-27(18)36-17-5-3-16(33)4-6-17)19(11-14)28(39)37-26-20(29)7-9-22(24(26)32)38-42(40,41)23-12-15(30)2-8-21(23)31;/h2,7-13,16-17,38H,3-6,33H2,1H3,(H,37,39)(H,34,35,36);1H/t16-,17-;
Affinity DataKi:  340nMAssay Description:Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50043710(CHEMBL3356007)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
Show InChI InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-
Affinity DataIC50: 4.20nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547988(CHEMBL4781285)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F
Show InChI InChI=1S/C25H23Cl2FN6O3S2/c26-16-3-1-2-4-19(16)39(36,37)34-18-10-9-17(27)22(20(18)28)33-25(35)15-11-38-23-21(15)30-12-31-24(23)32-14-7-5-13(29)6-8-14/h1-4,9-14,34H,5-8,29H2,(H,33,35)(H,30,31,32)/t13-,14-
Affinity DataIC50: 22nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547986(CHEMBL4786638)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14-
Affinity DataIC50: 24nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547987(CHEMBL4760343)
Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F
Show InChI InChI=1S/C26H26ClFN6O3S2.ClH/c27-19-10-11-20(34-39(36,37)13-15-4-2-1-3-5-15)21(28)23(19)33-26(35)18-12-38-24-22(18)30-14-31-25(24)32-17-8-6-16(29)7-9-17;/h1-5,10-12,14,16-17,34H,6-9,13,29H2,(H,33,35)(H,30,31,32);1H/t16-,17-;
Affinity DataIC50: 30nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547970(CHEMBL4757144)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C22H15ClF3N5O3S/c1-10-6-12-19(28-9-29-21(12)27)13(7-10)22(32)30-20-14(23)3-5-16(18(20)26)31-35(33,34)17-8-11(24)2-4-15(17)25/h2-9,31H,1H3,(H,30,32)(H2,27,28,29)
Affinity DataIC50: 31nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547971(CHEMBL4758021)
Show SMILES Nc1ncnc2c(cc(cc12)-c1ccncc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C26H16ClF3N6O3S/c27-18-2-4-20(36-40(38,39)21-11-15(28)1-3-19(21)29)22(30)24(18)35-26(37)17-10-14(13-5-7-32-8-6-13)9-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
Affinity DataIC50: 33nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547979(CHEMBL4752754)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H20ClF2N7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-18(27)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-19(21)28/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 40nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547979(CHEMBL4752754)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H20ClF2N7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-18(27)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-19(21)28/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 44nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547972(CHEMBL4755886)
Show SMILES Nc1ncnc2c(cc(cc12)-c1cccnc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C26H16ClF3N6O3S/c27-18-4-6-20(36-40(38,39)21-10-15(28)3-5-19(21)29)22(30)24(18)35-26(37)17-9-14(13-2-1-7-32-11-13)8-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
Affinity DataIC50: 47nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547978(CHEMBL4758147)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H20Cl2FN7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-19(28)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-18(21)27/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 48nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547974(CHEMBL4747176)
Show SMILES Cn1cc(cn1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-10-13(9-33-36)12-6-15-22(31-11-32-24(15)30)16(7-12)25(37)34-23-17(26)3-5-19(21(23)29)35-40(38,39)20-8-14(27)2-4-18(20)28/h2-11,35H,1H3,(H,34,37)(H2,30,31,32)
Affinity DataIC50: 50nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547975(CHEMBL4759829)
Show SMILES Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-19(6-7-33-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)34-23-16(26)3-5-18(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,34,37)(H2,30,31,32)
Affinity DataIC50: 53nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547969(CHEMBL4753548)
Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C21H13ClF3N5O3S/c22-13-5-7-15(30-34(32,33)16-8-10(23)4-6-14(16)24)17(25)19(13)29-21(31)12-3-1-2-11-18(12)27-9-28-20(11)26/h1-9,30H,(H,29,31)(H2,26,27,28)
Affinity DataIC50: 56nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50043710(CHEMBL3356007)
Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1
Show InChI InChI=1S/C32H31ClN6O3S/c1-20-19-28(39-43(40,41)29-11-5-4-10-26(29)33)23-7-2-3-8-24(23)30(20)42-31-25(9-6-17-35-31)27-16-18-36-32(38-27)37-22-14-12-21(34)13-15-22/h2-11,16-19,21-22,39H,12-15,34H2,1H3,(H,36,37,38)/t21-,22-
Affinity DataIC50: 57nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547978(CHEMBL4758147)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H20Cl2FN7O3S/c1-13-17(11-36(2)34-13)14-9-15-23(31-12-32-25(15)30)16(10-14)26(37)33-24-19(28)7-8-20(22(24)29)35-40(38,39)21-6-4-3-5-18(21)27/h3-12,35H,1-2H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 64nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547985(CHEMBL4749470)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C19H11ClF3N5O3S2/c20-10-2-4-12(28-33(30,31)13-5-8(21)1-3-11(13)22)14(23)16(10)27-19(29)9-6-32-17-15(9)25-7-26-18(17)24/h1-7,28H,(H,27,29)(H2,24,25,26)
Affinity DataIC50: 67nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547973(CHEMBL4787548)
Show SMILES Nc1ncnc2c(cc(cc12)-c1cn[nH]c1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C24H15ClF3N7O3S/c25-16-2-4-18(35-39(37,38)19-7-13(26)1-3-17(19)27)20(28)22(16)34-24(36)15-6-11(12-8-32-33-9-12)5-14-21(15)30-10-31-23(14)29/h1-10,35H,(H,32,33)(H,34,36)(H2,29,30,31)
Affinity DataIC50: 76nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547977(CHEMBL4754759)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H19ClF3N7O3S/c1-12-17(10-37(2)35-12)13-7-15-23(32-11-33-25(15)31)16(8-13)26(38)34-24-18(27)4-6-20(22(24)30)36-41(39,40)21-9-14(28)3-5-19(21)29/h3-11,36H,1-2H3,(H,34,38)(H2,31,32,33)
Affinity DataIC50: 82nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547976(CHEMBL4743690)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-7-6-18(34-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)33-23-16(26)3-5-19(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 89nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547988(CHEMBL4781285)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F
Show InChI InChI=1S/C25H23Cl2FN6O3S2/c26-16-3-1-2-4-19(16)39(36,37)34-18-10-9-17(27)22(20(18)28)33-25(35)15-11-38-23-21(15)30-12-31-24(23)32-14-7-5-13(29)6-8-14/h1-4,9-14,34H,5-8,29H2,(H,33,35)(H,30,31,32)/t13-,14-
Affinity DataIC50: 120nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547977(CHEMBL4754759)
Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C26H19ClF3N7O3S/c1-12-17(10-37(2)35-12)13-7-15-23(32-11-33-25(15)31)16(8-13)26(38)34-24-18(27)4-6-20(22(24)30)36-41(39,40)21-9-14(28)3-5-19(21)29/h3-11,36H,1-2H3,(H,34,38)(H2,31,32,33)
Affinity DataIC50: 150nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547968(CHEMBL4780489)
Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F
Show InChI InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24)
Affinity DataIC50: 200nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547974(CHEMBL4747176)
Show SMILES Cn1cc(cn1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-10-13(9-33-36)12-6-15-22(31-11-32-24(15)30)16(7-12)25(37)34-23-17(26)3-5-19(21(23)29)35-40(38,39)20-8-14(27)2-4-18(20)28/h2-11,35H,1H3,(H,34,37)(H2,30,31,32)
Affinity DataIC50: 280nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547986(CHEMBL4786638)
Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C25H22ClF3N6O3S2/c26-16-6-8-18(35-40(37,38)19-9-12(27)1-7-17(19)28)20(29)22(16)34-25(36)15-10-39-23-21(15)31-11-32-24(23)33-14-4-2-13(30)3-5-14/h1,6-11,13-14,35H,2-5,30H2,(H,34,36)(H,31,32,33)/t13-,14-
Affinity DataIC50: 320nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547987(CHEMBL4760343)
Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F
Show InChI InChI=1S/C26H26ClFN6O3S2.ClH/c27-19-10-11-20(34-39(36,37)13-15-4-2-1-3-5-15)21(28)23(19)33-26(35)18-12-38-24-22(18)30-14-31-25(24)32-17-8-6-16(29)7-9-17;/h1-5,10-12,14,16-17,34H,6-9,13,29H2,(H,33,35)(H,30,31,32);1H/t16-,17-;
Affinity DataIC50: 390nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547983(CHEMBL4759055)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CCCNC3)c2c1
Show InChI InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m0/s1
Affinity DataIC50: 670nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547984(CHEMBL4753081)
Show SMILES Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1
Show InChI InChI=1S/C28H26ClF3N6O3S.ClH/c1-14-10-18-25(34-13-35-27(18)36-17-5-3-16(33)4-6-17)19(11-14)28(39)37-26-20(29)7-9-22(24(26)32)38-42(40,41)23-12-15(30)2-8-21(23)31;/h2,7-13,16-17,38H,3-6,33H2,1H3,(H,37,39)(H,34,35,36);1H/t16-,17-;
Affinity DataIC50: 700nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547981(CHEMBL4740654)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1
Show InChI InChI=1S/C24H20ClF3N6O3S/c1-12-8-14-21(31-11-32-23(14)30-7-6-29)15(9-12)24(35)33-22-16(25)3-5-18(20(22)28)34-38(36,37)19-10-13(26)2-4-17(19)27/h2-5,8-11,34H,6-7,29H2,1H3,(H,33,35)(H,30,31,32)
Affinity DataIC50: 920nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547970(CHEMBL4757144)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C22H15ClF3N5O3S/c1-10-6-12-19(28-9-29-21(12)27)13(7-10)22(32)30-20-14(23)3-5-16(18(20)26)31-35(33,34)17-8-11(24)2-4-15(17)25/h2-9,31H,1H3,(H,30,32)(H2,27,28,29)
Affinity DataIC50: 1.10E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547971(CHEMBL4758021)
Show SMILES Nc1ncnc2c(cc(cc12)-c1ccncc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C26H16ClF3N6O3S/c27-18-2-4-20(36-40(38,39)21-11-15(28)1-3-19(21)29)22(30)24(18)35-26(37)17-10-14(13-5-7-32-8-6-13)9-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
Affinity DataIC50: 1.60E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547976(CHEMBL4743690)
Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-7-6-18(34-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)33-23-16(26)3-5-19(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,33,37)(H2,30,31,32)
Affinity DataIC50: 1.70E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547975(CHEMBL4759829)
Show SMILES Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
Show InChI InChI=1S/C25H17ClF3N7O3S/c1-36-19(6-7-33-36)12-8-14-22(31-11-32-24(14)30)15(9-12)25(37)34-23-16(26)3-5-18(21(23)29)35-40(38,39)20-10-13(27)2-4-17(20)28/h2-11,35H,1H3,(H,34,37)(H2,30,31,32)
Affinity DataIC50: 2.00E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547973(CHEMBL4787548)
Show SMILES Nc1ncnc2c(cc(cc12)-c1cn[nH]c1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C24H15ClF3N7O3S/c25-16-2-4-18(35-39(37,38)19-7-13(26)1-3-17(19)27)20(28)22(16)34-24(36)15-6-11(12-8-32-33-9-12)5-14-21(15)30-10-31-23(14)29/h1-10,35H,(H,32,33)(H,34,36)(H2,29,30,31)
Affinity DataIC50: 3.20E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547982(CHEMBL4749836)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1
Show InChI InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m1/s1
Affinity DataIC50: 3.50E+3nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547972(CHEMBL4755886)
Show SMILES Nc1ncnc2c(cc(cc12)-c1cccnc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C26H16ClF3N6O3S/c27-18-4-6-20(36-40(38,39)21-10-15(28)3-5-19(21)29)22(30)24(18)35-26(37)17-9-14(13-2-1-7-32-11-13)8-16-23(17)33-12-34-25(16)31/h1-12,36H,(H,35,37)(H2,31,33,34)
Affinity DataIC50: 4.90E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547985(CHEMBL4749470)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C19H11ClF3N5O3S2/c20-10-2-4-12(28-33(30,31)13-5-8(21)1-3-11(13)22)14(23)16(10)27-19(29)9-6-32-17-15(9)25-7-26-18(17)24/h1-7,28H,(H,27,29)(H2,24,25,26)
Affinity DataIC50: 5.30E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547980(CHEMBL4744569)
Show SMILES CN(C)CCNc1ncnc2c(cc(C)cc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C26H24ClF3N6O3S/c1-14-10-16-23(32-13-33-25(16)31-8-9-36(2)3)17(11-14)26(37)34-24-18(27)5-7-20(22(24)30)35-40(38,39)21-12-15(28)4-6-19(21)29/h4-7,10-13,35H,8-9H2,1-3H3,(H,34,37)(H,31,32,33)
Affinity DataIC50: 5.50E+3nMAssay Description:Competitive inhibition of IRE1alpha LKR domain (Q470 to L997 residues) (unknown origin) expressed in Sf9 insect cells using mini-XBP-1 stem-loop RNA ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547968(CHEMBL4780489)
Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F
Show InChI InChI=1S/C19H18ClFN6O3S/c20-13-6-7-14(26-31(29,30)27-8-1-2-9-27)15(21)17(13)25-19(28)12-5-3-4-11-16(12)23-10-24-18(11)22/h3-7,10,26H,1-2,8-9H2,(H,25,28)(H2,22,23,24)
Affinity DataIC50: 5.58E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547983(CHEMBL4759055)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CCCNC3)c2c1
Show InChI InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m0/s1
Affinity DataIC50: 9.90E+3nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547969(CHEMBL4753548)
Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F
Show InChI InChI=1S/C21H13ClF3N5O3S/c22-13-5-7-15(30-34(32,33)16-8-10(23)4-6-14(16)24)17(25)19(13)29-21(31)12-3-1-2-11-18(12)27-9-28-20(11)26/h1-9,30H,(H,29,31)(H2,26,27,28)
Affinity DataIC50: 1.27E+4nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547982(CHEMBL4749836)
Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1
Show InChI InChI=1S/C27H24ClF3N6O3S/c1-14-9-17-24(33-13-34-26(17)35-16-3-2-8-32-12-16)18(10-14)27(38)36-25-19(28)5-7-21(23(25)31)37-41(39,40)22-11-15(29)4-6-20(22)30/h4-7,9-11,13,16,32,37H,2-3,8,12H2,1H3,(H,36,38)(H,33,34,35)/t16-/m1/s1
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetSerine/threonine-protein kinase/endoribonuclease IRE1(Homo sapiens (Human))
Paraza Pharma Inc.

Curated by ChEMBL
LigandPNGBDBM50547984(CHEMBL4753081)
Show SMILES Cl.Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CC[C@H](N)CC3)c2c1
Show InChI InChI=1S/C28H26ClF3N6O3S.ClH/c1-14-10-18-25(34-13-35-27(18)36-17-5-3-16(33)4-6-17)19(11-14)28(39)37-26-20(29)7-9-22(24(26)32)38-42(40,41)23-12-15(30)2-8-21(23)31;/h2,7-13,16-17,38H,3-6,33H2,1H3,(H,37,39)(H,34,35,36);1H/t16-,17-;
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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