Reaction Details |
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Target | Protein disulfide-isomerase |
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Ligand | BDBM50561135 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2074276 (CHEMBL4729810) |
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IC50 | 140±n/a nM |
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Citation | Shergalis, A; Xue, D; Gharbia, FZ; Driks, H; Shrestha, B; Tanweer, A; Cromer, K; Ljungman, M; Neamati, N Characterization of Aminobenzylphenols as Protein Disulfide Isomerase Inhibitors in Glioblastoma Cell Lines. J Med Chem63:10263-10286 (2020) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Protein disulfide-isomerase |
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Name: | Protein disulfide-isomerase |
Synonyms: | Cellular thyroid hormone-binding protein | ERBA2L | P4HB | PDI | PDIA1 | PDIA1_HUMAN | PO4DB | Protein Disulfide-Isomerase (PDI) |
Type: | Protein |
Mol. Mass.: | 57084.91 |
Organism: | Homo sapiens (Human) |
Description: | P07237 |
Residue: | 508 |
Sequence: | MLRRALLCLAVAALVRADAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALA
PEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGR
EADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAID
DIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFIKHNQLPLVIEF
TEQTAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQR
ILEFFGLKKEECPAVRLITLEEEMTKYKPESEELTAERITEFCHRFLEGKIKPHLMSQEL
PEDWDKQPVKVLVGKNFEDVAFDEKKNVFVEFYAPWCGHCKQLAPIWDKLGETYKDHENI
VIAKMDSTANEVEAVKVHSFPTLKFFPASADRTVIDYNGERTLDGFKKFLESGGQDGAGD
DDDLEDLEEAEEPDMEEDDDQKAVKDEL
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BDBM50561135 |
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n/a |
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Name | BDBM50561135 |
Synonyms: | CHEMBL4740031 |
Type | Small organic molecule |
Emp. Form. | C22H18FN3O |
Mol. Mass. | 359.3962 |
SMILES | Cc1ccnc(NC(c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 |
Structure |
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