Found 52 hits with Last Name = 'ashkenazi' and Initial = 'a' 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 B-raf
(Homo sapiens (Human)) | BDBM50547978
(CHEMBL4758147)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547986
(CHEMBL4786638)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547968
(CHEMBL4780489)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547981
(CHEMBL4740654)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547987
(CHEMBL4760343)Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 55 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547982
(CHEMBL4749836)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1 |r| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547988
(CHEMBL4781285)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase B-raf
(Homo sapiens (Human)) | BDBM50547984
(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 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of of human recombinant His6-tagged B-Raf V600E mutant expressed in baculovirus infected cells co-expresing CDC37 in presence of [gamma33P... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50043710
(CHEMBL3356007)Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:38.42,wD:35.38,(34.99,-3.81,;33.66,-4.59,;32.33,-3.83,;31,-4.6,;29.66,-3.83,;28.33,-4.6,;29.09,-5.93,;27.56,-5.92,;27,-3.83,;27,-2.29,;25.67,-1.52,;24.34,-2.29,;24.34,-3.84,;25.67,-4.6,;25.68,-6.14,;31,-6.14,;29.67,-6.91,;29.67,-8.45,;31.01,-9.22,;32.34,-8.44,;32.33,-6.91,;33.67,-6.14,;35,-6.91,;36.34,-6.14,;36.32,-4.6,;37.65,-3.82,;38.99,-4.59,;39,-6.13,;37.66,-6.9,;37.67,-8.44,;36.33,-9.21,;36.33,-10.75,;37.67,-11.52,;39,-10.74,;40.34,-11.51,;41.67,-10.73,;43,-11.5,;44.32,-10.74,;44.33,-9.2,;45.66,-8.43,;42.99,-8.43,;41.65,-9.2,;39,-9.21,)| 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- | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547988
(CHEMBL4781285)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| | 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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547986
(CHEMBL4786638)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| | 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 | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547987
(CHEMBL4760343)Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547970
(CHEMBL4757144)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547971
(CHEMBL4758021)Show SMILES Nc1ncnc2c(cc(cc12)-c1ccncc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | 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 |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547979
(CHEMBL4752754)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1 | 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 | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547979
(CHEMBL4752754)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3F)c2F)c2ncnc(N)c2c1 | 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 | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547972
(CHEMBL4755886)Show SMILES Nc1ncnc2c(cc(cc12)-c1cccnc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 47 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547978
(CHEMBL4758147)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 48 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547974
(CHEMBL4747176)Show SMILES Cn1cc(cn1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547975
(CHEMBL4759829)Show SMILES Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547969
(CHEMBL4753548)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50043710
(CHEMBL3356007)Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)c2ccccc2c1Oc1ncccc1-c1ccnc(N[C@H]2CC[C@H](N)CC2)n1 |r,wU:38.42,wD:35.38,(34.99,-3.81,;33.66,-4.59,;32.33,-3.83,;31,-4.6,;29.66,-3.83,;28.33,-4.6,;29.09,-5.93,;27.56,-5.92,;27,-3.83,;27,-2.29,;25.67,-1.52,;24.34,-2.29,;24.34,-3.84,;25.67,-4.6,;25.68,-6.14,;31,-6.14,;29.67,-6.91,;29.67,-8.45,;31.01,-9.22,;32.34,-8.44,;32.33,-6.91,;33.67,-6.14,;35,-6.91,;36.34,-6.14,;36.32,-4.6,;37.65,-3.82,;38.99,-4.59,;39,-6.13,;37.66,-6.9,;37.67,-8.44,;36.33,-9.21,;36.33,-10.75,;37.67,-11.52,;39,-10.74,;40.34,-11.51,;41.67,-10.73,;43,-11.5,;44.32,-10.74,;44.33,-9.2,;45.66,-8.43,;42.99,-8.43,;41.65,-9.2,;39,-9.21,)| 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- | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547978
(CHEMBL4758147)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3ccccc3Cl)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547985
(CHEMBL4749470)Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547973
(CHEMBL4787548)Show SMILES Nc1ncnc2c(cc(cc12)-c1cn[nH]c1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547977
(CHEMBL4754759)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547976
(CHEMBL4743690)Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547988
(CHEMBL4781285)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2ccccc2Cl)c1F |r,wU:1.0,wD:4.7,(2.27,-26,;3.78,-26.32,;4.8,-25.18,;6.3,-25.5,;6.78,-26.96,;5.75,-28.11,;4.24,-27.79,;8.29,-27.28,;9.32,-26.13,;8.84,-24.68,;9.87,-23.53,;11.37,-23.86,;11.85,-25.31,;13.24,-25.93,;13.09,-27.47,;11.58,-27.79,;10.81,-26.45,;14.58,-25.16,;14.58,-23.62,;15.91,-25.93,;17.25,-25.17,;17.25,-23.62,;15.91,-22.85,;18.58,-22.85,;19.91,-23.61,;19.92,-25.16,;21.25,-25.93,;22.58,-25.15,;21.8,-23.82,;23.35,-23.81,;23.92,-25.93,;23.91,-27.47,;25.25,-28.25,;26.59,-27.47,;26.59,-25.92,;25.25,-25.15,;25.24,-23.61,;18.58,-25.94,;18.58,-27.48,)| | 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 | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547977
(CHEMBL4754759)Show SMILES Cc1nn(C)cc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | 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 |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547968
(CHEMBL4780489)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F | 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 | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547974
(CHEMBL4747176)Show SMILES Cn1cc(cn1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547986
(CHEMBL4786638)Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F |r,wU:1.0,wD:4.7,(28.77,-6.56,;30.27,-6.89,;31.31,-5.75,;32.81,-6.07,;33.28,-7.54,;32.26,-8.68,;30.75,-8.35,;34.79,-7.86,;35.82,-6.71,;35.34,-5.26,;36.37,-4.11,;37.87,-4.43,;38.34,-5.89,;39.74,-6.51,;39.58,-8.04,;38.08,-8.36,;37.31,-7.03,;41.07,-5.74,;41.07,-4.2,;42.41,-6.51,;43.74,-5.74,;43.74,-4.2,;42.41,-3.43,;45.07,-3.43,;46.4,-4.19,;46.41,-5.74,;47.74,-6.51,;49.07,-5.73,;48.29,-4.39,;49.84,-4.39,;50.41,-6.5,;50.4,-8.05,;51.74,-8.82,;51.74,-10.36,;53.08,-8.05,;53.08,-6.49,;51.74,-5.73,;51.73,-4.19,;45.07,-6.51,;45.07,-8.05,)| | 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 | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547987
(CHEMBL4760343)Show SMILES Cl.N[C@H]1CC[C@@H](CC1)Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)Cc2ccccc2)c1F |r,wU:2.0,wD:5.7,(58.19,-8.97,;58.91,-6.74,;60.41,-7.06,;61.45,-5.92,;62.95,-6.24,;63.42,-7.71,;62.4,-8.85,;60.89,-8.53,;64.93,-8.03,;65.96,-6.89,;65.48,-5.43,;66.51,-4.28,;68.01,-4.61,;68.48,-6.06,;69.88,-6.68,;69.73,-8.22,;68.22,-8.54,;67.45,-7.2,;71.22,-5.91,;71.22,-4.37,;72.55,-6.68,;73.89,-5.92,;73.89,-4.37,;72.55,-3.6,;75.22,-3.6,;76.55,-4.36,;76.56,-5.91,;77.89,-6.68,;79.22,-5.9,;78.44,-4.57,;79.99,-4.56,;80.56,-6.68,;81.89,-5.91,;83.22,-6.68,;84.55,-5.91,;84.56,-4.37,;83.21,-3.6,;81.89,-4.37,;75.22,-6.69,;75.22,-8.23,)| | 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 |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547983
(CHEMBL4759055)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CCCNC3)c2c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547984
(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 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547981
(CHEMBL4740654)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(NCCN)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547970
(CHEMBL4757144)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547971
(CHEMBL4758021)Show SMILES Nc1ncnc2c(cc(cc12)-c1ccncc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547976
(CHEMBL4743690)Show SMILES Cn1ccc(n1)-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547975
(CHEMBL4759829)Show SMILES Cn1nccc1-c1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547973
(CHEMBL4787548)Show SMILES Nc1ncnc2c(cc(cc12)-c1cn[nH]c1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547982
(CHEMBL4749836)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547972
(CHEMBL4755886)Show SMILES Nc1ncnc2c(cc(cc12)-c1cccnc1)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547985
(CHEMBL4749470)Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547980
(CHEMBL4744569)Show SMILES CN(C)CCNc1ncnc2c(cc(C)cc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay 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 ... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547968
(CHEMBL4780489)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)N2CCCC2)c1F | 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 | 5.58E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547983
(CHEMBL4759055)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@H]3CCCNC3)c2c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547969
(CHEMBL4753548)Show SMILES Nc1ncnc2c(cccc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)c2cc(F)ccc2F)c1F | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547982
(CHEMBL4749836)Show SMILES Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N[C@@H]3CCCNC3)c2c1 |r| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM50547984
(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 |r,wU:37.38,wD:34.34,(59.73,-45.54,;69.53,-50.16,;69.53,-48.62,;70.85,-47.85,;70.85,-46.32,;72.18,-45.55,;72.18,-44.01,;73.52,-46.32,;74.85,-45.55,;74.85,-44,;73.52,-43.24,;76.18,-43.23,;77.52,-44,;77.52,-45.55,;78.86,-46.32,;80.18,-45.54,;79.4,-44.2,;80.95,-44.19,;81.52,-46.31,;81.51,-47.86,;82.85,-48.63,;82.85,-50.17,;84.19,-47.86,;84.19,-46.3,;82.85,-45.53,;82.84,-43.99,;76.18,-46.32,;76.18,-47.86,;69.51,-45.55,;69.52,-44.02,;68.19,-43.25,;66.86,-44.02,;66.87,-45.55,;65.54,-46.32,;64.2,-45.55,;64.2,-44.02,;62.87,-43.25,;61.54,-44.02,;60.2,-43.24,;61.53,-45.56,;62.87,-46.33,;68.19,-46.31,;68.18,-47.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of IRE1alpha (unknown origin) assessed as XBP-1 slicing luciferase activity incubated for 1 hr followed by stimulation with thapsigargin m... |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.0c00344
BindingDB Entry DOI: 10.7270/Q24Q7ZMD |
More data for this
Ligand-Target Pair | |
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