Found 26 hits of Enzyme Inhibition Constant Data 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 |
|---|
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271332
(US10064853, Compound 1)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C23H28ClNO4/c1-2-28-22(27)23(12-15-29-19-6-4-3-5-7-19)10-13-25(14-11-23)17-18-8-9-21(26)20(24)16-18/h3-9,16,26H,2,10-15,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271332
(US10064853, Compound 1)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C23H28ClNO4/c1-2-28-22(27)23(12-15-29-19-6-4-3-5-7-19)10-13-25(14-11-23)17-18-8-9-21(26)20(24)16-18/h3-9,16,26H,2,10-15,17H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271339
(US10064853, Compound 14)Show SMILES CC(C)(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C25H32ClNO4/c1-24(2,3)31-23(29)25(13-16-30-20-7-5-4-6-8-20)11-14-27(15-12-25)18-19-9-10-22(28)21(26)17-19/h4-10,17,28H,11-16,18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271339
(US10064853, Compound 14)Show SMILES CC(C)(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C25H32ClNO4/c1-24(2,3)31-23(29)25(13-16-30-20-7-5-4-6-8-20)11-14-27(15-12-25)18-19-9-10-22(28)21(26)17-19/h4-10,17,28H,11-16,18H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 650 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271338
(US10064853, Compound 13)Show SMILES CC(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C24H30ClNO4/c1-18(2)30-23(28)24(12-15-29-20-6-4-3-5-7-20)10-13-26(14-11-24)17-19-8-9-22(27)21(25)16-19/h3-9,16,18,27H,10-15,17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271338
(US10064853, Compound 13)Show SMILES CC(C)OC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C24H30ClNO4/c1-18(2)30-23(28)24(12-15-29-20-6-4-3-5-7-20)10-13-26(14-11-24)17-19-8-9-22(27)21(25)16-19/h3-9,16,18,27H,10-15,17H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 850 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271337
(US10064853, Compound 9)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(CC1)C(=O)c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C23H26ClNO5/c1-2-29-22(28)23(12-15-30-18-6-4-3-5-7-18)10-13-25(14-11-23)21(27)17-8-9-20(26)19(24)16-17/h3-9,16,26H,2,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271337
(US10064853, Compound 9)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(CC1)C(=O)c1ccc(O)c(Cl)c1 Show InChI InChI=1S/C23H26ClNO5/c1-2-29-22(28)23(12-15-30-18-6-4-3-5-7-18)10-13-25(14-11-23)21(27)17-8-9-20(26)19(24)16-17/h3-9,16,26H,2,10-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.25E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271341
(US10064853, Compound 16)Show SMILES CCN(C)C(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C24H31ClN2O3/c1-3-26(2)23(29)24(13-16-30-20-7-5-4-6-8-20)11-14-27(15-12-24)18-19-9-10-22(28)21(25)17-19/h4-10,17,28H,3,11-16,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271341
(US10064853, Compound 16)Show SMILES CCN(C)C(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C24H31ClN2O3/c1-3-26(2)23(29)24(13-16-30-20-7-5-4-6-8-20)11-14-27(15-12-24)18-19-9-10-22(28)21(25)17-19/h4-10,17,28H,3,11-16,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271342
(US10064853, Compound 17)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)NC2CCCC2)cc1Cl Show InChI InChI=1S/C26H33ClN2O3/c27-23-18-20(10-11-24(23)30)19-29-15-12-26(13-16-29,25(31)28-21-6-4-5-7-21)14-17-32-22-8-2-1-3-9-22/h1-3,8-11,18,21,30H,4-7,12-17,19H2,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271342
(US10064853, Compound 17)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)NC2CCCC2)cc1Cl Show InChI InChI=1S/C26H33ClN2O3/c27-23-18-20(10-11-24(23)30)19-29-15-12-26(13-16-29,25(31)28-21-6-4-5-7-21)14-17-32-22-8-2-1-3-9-22/h1-3,8-11,18,21,30H,4-7,12-17,19H2,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271344
(US10064853, Compound 19)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)Nc2ccccc2)cc1Cl Show InChI InChI=1S/C27H29ClN2O3/c28-24-19-21(11-12-25(24)31)20-30-16-13-27(14-17-30,15-18-33-23-9-5-2-6-10-23)26(32)29-22-7-3-1-4-8-22/h1-12,19,31H,13-18,20H2,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271344
(US10064853, Compound 19)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)Nc2ccccc2)cc1Cl Show InChI InChI=1S/C27H29ClN2O3/c28-24-19-21(11-12-25(24)31)20-30-16-13-27(14-17-30,15-18-33-23-9-5-2-6-10-23)26(32)29-22-7-3-1-4-8-22/h1-12,19,31H,13-18,20H2,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271335
(US10064853, Compound 6)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C24H31NO4/c1-3-28-23(26)24(15-18-29-22-7-5-4-6-8-22)13-16-25(17-14-24)19-20-9-11-21(27-2)12-10-20/h4-12H,3,13-19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271334
(US10064853, Compound 5)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OCC=C)c(Cl)c2)CC1 Show InChI InChI=1S/C26H32ClNO4/c1-3-17-32-24-11-10-21(19-23(24)27)20-28-15-12-26(13-16-28,25(29)30-4-2)14-18-31-22-8-6-5-7-9-22/h3,5-11,19H,1,4,12-18,20H2,2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271340
(US10064853, Compound 15)Show SMILES CCNC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C23H29ClN2O3/c1-2-25-22(28)23(12-15-29-19-6-4-3-5-7-19)10-13-26(14-11-23)17-18-8-9-21(27)20(24)16-18/h3-9,16,27H,2,10-15,17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271335
(US10064853, Compound 6)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1 Show InChI InChI=1S/C24H31NO4/c1-3-28-23(26)24(15-18-29-22-7-5-4-6-8-22)13-16-25(17-14-24)19-20-9-11-21(27-2)12-10-20/h4-12H,3,13-19H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271333
(US10064853, Compound 4)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OC)c(Cl)c2)CC1 Show InChI InChI=1S/C24H30ClNO4/c1-3-29-23(27)24(13-16-30-20-7-5-4-6-8-20)11-14-26(15-12-24)18-19-9-10-22(28-2)21(25)17-19/h4-10,17H,3,11-16,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271334
(US10064853, Compound 5)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OCC=C)c(Cl)c2)CC1 Show InChI InChI=1S/C26H32ClNO4/c1-3-17-32-24-11-10-21(19-23(24)27)20-28-15-12-26(13-16-28,25(29)30-4-2)14-18-31-22-8-6-5-7-9-22/h3,5-11,19H,1,4,12-18,20H2,2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271340
(US10064853, Compound 15)Show SMILES CCNC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(O)c(Cl)c2)CC1 Show InChI InChI=1S/C23H29ClN2O3/c1-2-25-22(28)23(12-15-29-19-6-4-3-5-7-19)10-13-26(14-11-23)17-18-8-9-21(27)20(24)16-18/h3-9,16,27H,2,10-15,17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271333
(US10064853, Compound 4)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(OC)c(Cl)c2)CC1 Show InChI InChI=1S/C24H30ClNO4/c1-3-29-23(27)24(13-16-30-20-7-5-4-6-8-20)11-14-26(15-12-24)18-19-9-10-22(28-2)21(25)17-19/h4-10,17H,3,11-16,18H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271343
(US10064853, Compound 18)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)N2CCCC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O3/c26-22-18-20(8-9-23(22)29)19-27-15-10-25(11-16-27,24(30)28-13-4-5-14-28)12-17-31-21-6-2-1-3-7-21/h1-3,6-9,18,29H,4-5,10-17,19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271336
(US10064853, Compound 8)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3[nH]c(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O5/c1-2-29-22(27)24(12-15-30-19-6-4-3-5-7-19)10-13-26(14-11-24)17-18-8-9-20-21(16-18)31-23(28)25-20/h3-9,16H,2,10-15,17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271336
(US10064853, Compound 8)Show SMILES CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc3[nH]c(=O)oc3c2)CC1 Show InChI InChI=1S/C24H28N2O5/c1-2-29-22(27)24(12-15-30-19-6-4-3-5-7-19)10-13-26(14-11-24)17-18-8-9-20-21(16-18)31-23(28)25-20/h3-9,16H,2,10-15,17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
Protein disulfide-isomerase
(Homo sapiens (Human)) | BDBM271343
(US10064853, Compound 18)Show SMILES Oc1ccc(CN2CCC(CCOc3ccccc3)(CC2)C(=O)N2CCCC2)cc1Cl Show InChI InChI=1S/C25H31ClN2O3/c26-22-18-20(8-9-23(22)29)19-27-15-10-25(11-16-27,24(30)28-13-4-5-14-28)12-17-31-21-6-2-1-3-7-21/h1-3,6-9,18,29H,4-5,10-17,19H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Beth Israel Deaconess Medical Center, Inc.; The Broad Institute, Inc.
US Patent
| Assay Description
Insulin reductase assay. |
US Patent US10064853 (2018)
BindingDB Entry DOI: 10.7270/Q2SN0C0V |
More data for this
Ligand-Target Pair | |
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