Found 68 hits Enz. Inhib. hit(s) with all data for entry = 11933 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/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662026
(2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)cc2)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662027
(2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-4,3.08,;-2.67,.77,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662028
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662029
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2cnc(NS(=O)(=O)c3ccccc3Cl)cn2)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662030
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3Cl)nc2C)cn1 |r,wD:3.2,(12.67,-2.31,;11.34,-1.54,;11.34,,;10,-2.31,;8.67,-1.54,;7.34,-2.31,;7.34,-3.85,;8.67,-4.62,;10,-3.85,;6,-4.62,;4.67,-3.85,;4.67,-2.31,;3.33,-1.54,;2,-2.31,;.67,-1.54,;-.67,-2.31,;-2,-1.54,;-3.33,-2.31,;-4.67,-1.54,;-4.67,,;-6,.77,;-7.34,,;-8.11,-1.33,;-6.57,-1.33,;-8.67,.77,;-10,,;-11.34,.77,;-11.34,2.31,;-12.67,3.08,;-10,3.08,;-10,4.62,;-8.67,2.31,;-7.34,3.08,;-3.33,.77,;-2,,;-.67,.77,;2,-3.85,;3.33,-4.62,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662031
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(;-1.33,.77,;-2.67,,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;8,-4.62,;10.67,-1.54,;12,-2.31,;10.67,,;2.67,-4.62,;1.33,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662032
(2-chloro-N-(5-(2-(2-(((1r,4r)-4- (dimethylamino)cy...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(C=Cc2cnc(NS(=O)(=O)c3ccccc3Cl)nc2)cn1 |r,w:14.14,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662033
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2ccc(F)c(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:31.36,(.67,,;-.67,.77,;-2,,;-3.33,.77,;-4.67,,;-6,.77,;-7.34,,;-8.11,-1.33,;-6.57,-1.33,;-8.67,.77,;-10,,;-11.34,.77,;-11.34,2.31,;-12.67,3.08,;-10,3.08,;-10,4.62,;-8.67,2.31,;-7.34,3.08,;-4.67,-1.54,;-3.33,-2.31,;-2,-1.54,;-.67,-2.31,;.67,-1.54,;2,-2.31,;3.33,-1.54,;4.67,-2.31,;4.67,-3.85,;6,-4.62,;7.34,-3.85,;7.34,-2.31,;8.67,-1.54,;10,-2.31,;10,-3.85,;8.67,-4.62,;11.34,-1.54,;12.67,-2.31,;11.34,,;3.33,-4.62,;2,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662034
(4-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CCc1nc(NS(=O)(=O)c2cnccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662036
(2-chloro-N-(6-methyl-5-(2-(2-(((1r,4r)-4- (methyla...)Show SMILES CN[C@H]1CCC(CC1)Nc1ncc(C=Cc2ccc(NS(=O)(=O)c3ccccc3Cl)nc2C)cn1 |r,w:13.13,wD:2.1,(12,-1.54,;10.67,-.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662037
(N-(5-(2-(2-((1r,4r)-4- aminocyclohexyl)amino)pyrim...)Show SMILES CCc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1C=Cc1cnc(NC2CC[C@H](N)CC2)nc1 |r,w:20.22,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;3.33,-3.85,;2,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662038
(N-(5-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:28.30,(-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;3.33,-3.85,;2,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662039
(2-chloro-N-(6-ethyl-5-((E)-2-(2-(((1r,4r)-4- (meth...)Show SMILES CCc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)NC)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662040
(2-chloro-N-(6-methoxy-5-((E)-2-(2-(((1r,4r)- 4- (m...)Show SMILES CN[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2OC)cn1 |r,wD:2.1,(12,-1.54,;10.67,-.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662041
((E)-N-(5-(2-(2-((4-aminobicyclo[2.2.2]octan- 1-yl)...)Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC23CCC(N)(CC2)CC3)nc1 | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662042
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(-1.29,3.11,;-1.29,1.57,;-2.62,.8,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-6.67,-1.54,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662043
(2,3-dichloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethyl...)Show SMILES COc1nc(NS(=O)(=O)c2cccc(Cl)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(-1.29,2.34,;-1.29,.8,;-2.62,.03,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;8,-4.62,;10.67,-1.54,;12,-2.31,;10.67,,;2.67,-4.62,;1.33,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662044
(2-chloro-N-(6-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)nn2)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662031
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2cccc(F)c2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(;-1.33,.77,;-2.67,,;-4,.77,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-5.33,-1.54,;-4,-2.31,;-2.67,-1.54,;-1.33,-2.31,;,-1.54,;1.33,-2.31,;2.67,-1.54,;4,-2.31,;4,-3.85,;5.33,-4.62,;6.67,-3.85,;6.67,-2.31,;8,-1.54,;9.34,-2.31,;9.34,-3.85,;8,-4.62,;10.67,-1.54,;12,-2.31,;10.67,,;2.67,-4.62,;1.33,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662046
(N-(5-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:30.32,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-6,-1.54,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;3.33,-3.85,;2,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662047
(2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CCc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662048
(4-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2cnccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662049
(2-chloro-N-(6-methoxy-5-((E)-2-(2-(((1r,4r)- 4-mor...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N2CCOCC2)nc1 |r,wD:29.34,(-.68,.77,;-2.01,1.54,;-3.34,.77,;-4.68,1.54,;-6.01,.77,;-7.34,1.54,;-8.68,.77,;-9.45,-.56,;-7.91,-.56,;-10.01,1.54,;-11.34,.77,;-12.68,1.54,;-12.68,3.08,;-11.34,3.85,;-10.01,3.08,;-8.68,3.85,;-6.01,-.77,;-4.68,-1.54,;-3.34,-.77,;-2.01,-1.54,;-.68,-.77,;.66,-1.54,;1.99,-.77,;3.33,-1.54,;3.33,-3.08,;4.66,-3.85,;5.99,-3.08,;5.99,-1.54,;7.33,-.77,;8.66,-1.54,;8.66,-3.08,;7.33,-3.85,;9.99,-.77,;11.33,-1.54,;12.68,-.77,;12.68,.77,;11.35,1.53,;9.99,.77,;1.99,-3.85,;.66,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662050
(N-(5-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-6,-1.54,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;3.33,-.77,;4.67,-1.54,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;3.33,-3.85,;2,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662051
(2-chloro-N-(3-fluoro-6-methoxy-5-((E)-2-(2- (((1r,...)Show SMILES CN[C@H]1CCC(CC1)Nc1ncc(\C=C\c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2OC)cn1 |r,wD:2.1,(12,-1.54,;10.67,-.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;,.77,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662052
(2-chloro-N-(6-methoxy-5-((E)-2-(2-(((1r,4r)- 4-(pi...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N2CCCCC2)nc1 |r,wD:29.34,(-.68,.77,;-2.01,1.54,;-3.34,.77,;-4.68,1.54,;-6.01,.77,;-7.34,1.54,;-8.68,.77,;-9.45,-.56,;-7.91,-.56,;-10.01,1.54,;-11.34,.77,;-12.68,1.54,;-12.68,3.08,;-11.34,3.85,;-10.01,3.08,;-8.68,3.85,;-6.01,-.77,;-4.68,-1.54,;-3.34,-.77,;-2.01,-1.54,;-.68,-.77,;.66,-1.54,;1.99,-.77,;3.33,-1.54,;3.33,-3.08,;4.66,-3.85,;5.99,-3.08,;5.99,-1.54,;7.33,-.77,;8.66,-1.54,;8.66,-3.08,;7.33,-3.85,;9.99,-.77,;11.33,-1.54,;12.68,-.77,;12.68,.77,;11.35,1.53,;9.99,.77,;1.99,-3.85,;.66,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662053
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccc(F)cc3Cl)nc2)cn1 |r,wD:3.2,(12.67,-1.54,;11.34,-.77,;11.34,.77,;10,-1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;6,-3.85,;4.67,-3.08,;4.67,-1.54,;3.33,-.77,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-12.67,3.85,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-3.33,1.54,;-2,.77,;2,-3.08,;3.33,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662054
(4-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3cnccc3Cl)nc2C)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;4,-1.54,;2.67,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;1.33,-3.08,;2.67,-3.85,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662055
(2,3-dichloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethyl...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)nc2)cn1 |r,wD:3.2,(12,-2.31,;10.67,-1.54,;10.67,,;9.34,-2.31,;8,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;5.33,-4.62,;4,-3.85,;4,-2.31,;2.67,-1.54,;1.33,-2.31,;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-4,.77,;-2.67,,;1.33,-3.85,;2.67,-4.62,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662056
(2-chloro-N-(6-methoxy-5-((E)-2-(2-(((1r,4r)- 4- th...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N2CCSCC2)nc1 |r,wD:29.34,(-.68,.77,;-2.01,1.54,;-3.34,.77,;-4.68,1.54,;-6.01,.77,;-7.34,1.54,;-8.68,.77,;-9.45,-.56,;-7.91,-.56,;-10.01,1.54,;-11.34,.77,;-12.68,1.54,;-12.68,3.08,;-11.34,3.85,;-10.01,3.08,;-8.68,3.85,;-6.01,-.77,;-4.68,-1.54,;-3.34,-.77,;-2.01,-1.54,;-.68,-.77,;.66,-1.54,;1.99,-.77,;3.33,-1.54,;3.33,-3.08,;4.66,-3.85,;5.99,-3.08,;5.99,-1.54,;7.33,-.77,;8.66,-1.54,;8.66,-3.08,;7.33,-3.85,;9.99,-.77,;11.33,-1.54,;12.68,-.77,;12.68,.77,;11.35,1.53,;9.99,.77,;1.99,-3.85,;.66,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662057
(4-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1cc(NS(=O)(=O)c2cnccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662058
(2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1c(F)c(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-4,3.08,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662059
(2-chloro-N-(4-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2Cl)c(F)cc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:30.35,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-6.67,-1.54,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.67,-.77,;4,-1.54,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;2.67,-3.85,;1.33,-3.08,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662060
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3cccc(F)c3Cl)nc2)cn1 |r,wD:3.2,(12,-2.31,;10.67,-1.54,;10.67,,;9.34,-2.31,;8,-1.54,;6.67,-2.31,;6.67,-3.85,;8,-4.62,;9.34,-3.85,;5.33,-4.62,;4,-3.85,;4,-2.31,;2.67,-1.54,;1.33,-2.31,;,-1.54,;-1.33,-2.31,;-2.67,-1.54,;-4,-2.31,;-5.33,-1.54,;-5.33,,;-6.67,.77,;-8,,;-8.77,-1.33,;-7.23,-1.33,;-9.34,.77,;-10.67,,;-12,.77,;-12,2.31,;-10.67,3.08,;-10.67,4.62,;-9.34,2.31,;-8,3.08,;-4,.77,;-2.67,,;1.33,-3.85,;2.67,-4.62,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM661994
(N-(6-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES N[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)nn2)cn1 |r,wD:1.0,(11.34,-.77,;10,-1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;6,-3.85,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;3.33,-.77,;4.67,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM661995
(N-(4-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES N[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)cn1 |r,wD:1.0,(11.34,-.77,;10,-1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;6,-3.85,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-3.33,1.54,;-3.33,3.08,;-2,.77,;3.33,-.77,;4.67,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM661997
(N-(4-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:28.30,(-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM661998
(N-(4-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES Cc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:28.30,(-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662000
(N-(4-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES N[C@H]1CCC(CC1)Nc1ncc(CCc2ccc(NS(=O)(=O)c3ccccc3Cl)c(F)c2)cn1 |r,wD:1.0,(11.34,-.77,;10,-1.54,;8.67,-.77,;7.34,-1.54,;7.34,-3.08,;8.67,-3.85,;10,-3.08,;6,-3.85,;4.67,-3.08,;3.33,-3.85,;2,-3.08,;2,-1.54,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-3.33,1.54,;-3.33,3.08,;-2,.77,;3.33,-.77,;4.67,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662001
(N-(5-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662002
(N-(5-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662006
(N-(4-((E)-2-(2-(((1r,4r)-4- aminocyclohexyl)amino)...)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662007
(N-(4-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662008
(N-(6-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES CCc1cc(NS(=O)(=O)c2ccccc2Cl)cnc1CCc1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662009
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1\C=C\c1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;4,-1.54,;2.67,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662010
(N-(6-(2-(2-(((1r,4r)-4- aminocyclohexyl)amino)pyri...)Show SMILES COc1cc(NS(=O)(=O)c2ccccc2Cl)cnc1CCc1cnc(NC2CC[C@H](N)CC2)nc1 |r,wD:29.31,(.67,.77,;-.67,1.54,;-2,.77,;-3.33,1.54,;-4.67,.77,;-6,1.54,;-7.34,.77,;-8.11,-.56,;-6.57,-.56,;-8.67,1.54,;-10,.77,;-11.34,1.54,;-11.34,3.08,;-10,3.85,;-8.67,3.08,;-7.34,3.85,;-4.67,-.77,;-3.33,-1.54,;-2,-.77,;-.67,-1.54,;.67,-.77,;2,-1.54,;2,-3.08,;3.33,-3.85,;4.67,-3.08,;6,-3.85,;7.34,-3.08,;7.34,-1.54,;8.67,-.77,;10,-1.54,;11.34,-.77,;10,-3.08,;8.67,-3.85,;4.67,-1.54,;3.33,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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antibodypedia
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662011
(2-chloro-N-(5-(2-(2-(((1r,4r)-4- (dimethylamino)cy...)Show SMILES COc1nc(NS(=O)(=O)c2ccccc2Cl)ccc1CCc1cnc(NC2CC[C@@H](CC2)N(C)C)nc1 |r,wD:29.34,(,.77,;-1.33,1.54,;-2.67,.77,;-4,1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-5.33,-.77,;-4,-1.54,;-2.67,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;1.33,-3.08,;2.67,-3.85,;4,-3.08,;5.33,-3.85,;6.67,-3.08,;6.67,-1.54,;8,-.77,;9.34,-1.54,;9.34,-3.08,;8,-3.85,;10.67,-.77,;12,-1.54,;10.67,.77,;4,-1.54,;2.67,-.77,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662014
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2C)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;2.67,-.77,;4,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
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antibodypedia
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| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662015
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2ccc(NS(=O)(=O)c3ccccc3Cl)nc2C)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;2.67,-.77,;4,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
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| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase/endoribonuclease IRE1
(Homo sapiens (Human)) | BDBM662014
(2-chloro-N-(5-((E)-2-(2-(((1r,4r)-4- (dimethylamin...)Show SMILES CN(C)[C@H]1CCC(CC1)Nc1ncc(\C=C\c2cc(F)c(NS(=O)(=O)c3ccccc3Cl)nc2C)cn1 |r,wD:3.2,(12,-1.54,;10.67,-.77,;10.67,.77,;9.34,-1.54,;8,-.77,;6.67,-1.54,;6.67,-3.08,;8,-3.85,;9.34,-3.08,;5.33,-3.85,;4,-3.08,;2.67,-3.85,;1.33,-3.08,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.67,-.77,;-4,-1.54,;-5.33,-.77,;-6.67,-1.54,;-5.33,.77,;-6.67,1.54,;-8,.77,;-8.77,-.56,;-7.23,-.56,;-9.34,1.54,;-10.67,.77,;-12,1.54,;-12,3.08,;-10.67,3.85,;-9.34,3.08,;-8,3.85,;-4,1.54,;-2.67,.77,;-1.33,1.54,;2.67,-.77,;4,-1.54,)| | PDB
MMDB
Reactome pathway
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| UniChem
| | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
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