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BDBM8011 (2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indanyl]-2,5-bis[(2E,4E)-5-(methoxycarbonyl)-pent-2,4-dienyloxy]-3,4-dihydroxyhexane-1,6-diamide::C2-symmetric compound 19::methyl (2E,4E)-6-[(1R,2R,3R,4R)-2,3-dihydroxy-1,4-bis({[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoyl})-4-{[(2E,4E)-6-methoxy-6-oxohexa-2,4-dien-1-yl]oxy}butoxy]hexa-2,4-dienoate
SMILES: COC(=O)\C=C\C=C\CO[C@H]([C@H](O)[C@@H](O)[C@@H](OC\C=C\C=C\C(=O)OC)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12
InChI Key: InChIKey=IVJWYAHZQZXYNP-MZEITNRASA-N
Data: 3 KI
| Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Plasmepsin I (Plasmodium falciparum) | BDBM8011 ((2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indany...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | PC cid PC sid UniChem Similars | Article PubMed | 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasmepsin 2 (Plasmodium falciparum) | BDBM8011 ((2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indany...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 8.90 | -10.9 | n/a | n/a | n/a | n/a | n/a | 4.5 | 22 |
Uppsala University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cathepsin D (Homo sapiens (Human)) | BDBM8011 ((2R,3R,4R,5R)-N1,N6-Bis[(1S,2R)-2-hydroxy-1-indany...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Uppsala University | Assay Description Enzyme activities were assayed by monitoring the hydrolysis of substrate in the presence or absence of inhibitor compounds. The hydrolysis was record... | J Med Chem 47: 110-22 (2004) Article DOI: 10.1021/jm030933g BindingDB Entry DOI: 10.7270/Q2RV0KX6 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
