| Reaction Details |
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 | Report a problem with these data |
| Target | Kallikrein |
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| Ligand | BDBM50256276 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEBML_1687651 |
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| Ki | 22±n/a nM |
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| Citation |  Teufel, DP; Bennett, G; Harrison, H; van Rietschoten, K; Pavan, S; Stace, C; Le Floch, F; Van Bergen, T; Vermassen, E; Barbeaux, P; Hu, TT; Feyen, JHM; Vanhove, M Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema. J Med Chem61:2823-2836 (2018) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Kallikrein |
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| Name: | Kallikrein |
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| Synonyms: | Kallikrein 1 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 72241.51 |
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| Organism: | Sus scrofa |
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| Description: | ChEMBL_92376 |
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| Residue: | 643 |
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| Sequence: | MEVIVLFRIISFRQAVYFMCLFAAVSCGCLPQLHKNTFFRGGDVSAMYTPSARHCQMMCT
FHPRCLLFSFLPADSTSVTDKRFGCFLKDSVTGMLPRVLRENAISGHSLKQCGHQIRACH
RDIYKGIDMRGVNFNVSKVKTVEECQERCTNSIHCLFFTYATQAFNNAEYRNNCLLKHSP
GGTPTSIKVLANVESGFSLKPCADSEIGCHMDIFQHLAFSDVDVARVIAPDAFVCRTICT
YHPNCLFFTFYTNAWKIESQRNVCFLKTSHSGTPSFPTPQENAISGYSLLTCKQTLPEPC
HSKIYSEVDFEGEELNVTFVQGANLCQETCTKTIRCQFFTYSLHPEDCRGEKCKCSLRLS
SDGSPTKITHGMRASSGYSLRLCRSGDHSACATKANTRIVGGTDSFLGEWPWQVSLQAKL
RAQNHLCGGSIIGHQWVLTAAHCFDGLSLPDIWRIYGGILNISEITKETPFSQVKEIIIH
QNYKILESGHDIALLKLETPLNYTDFQKPICLPSRDDTNVVYTNCWVTGWGFTEEKGEIQ
NILQKVNIPLVSNEECQKSYRDHKISKQMICAGYKEGGKDACKGESGGPLVCKYNGIWHL
VGTTSWGEGCARREQPGVYTKVIEYMDWILEKTQDDDGQSWMK
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| BDBM50256276 |
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| n/a |
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| Name | BDBM50256276 |
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| Synonyms: | CHEMBL4079260 |
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| Type | Small organic molecule |
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| Emp. Form. | C79H109N19O20S3 |
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| Mol. Mass. | 1741.021 |
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| SMILES | CC(C)C[C@@H]1NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CSCc3cc(CSC[C@H](NC1=O)C(O)=O)cc(CSC[C@H](NC(C)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N2)c3 |r| |
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| Structure | 
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