BDBM50139142 CHEMBL3764405
SMILES: Nc1nc2cc(ccc2c(=O)n1C[C@@H]1CC[C@@H](O1)c1ccccc1)-c1ccccc1
InChI Key: InChIKey=ZFQQCJCOZGMLDR-NZQKXSOJSA-N
Data: 6 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cathepsin D (Homo sapiens (Human)) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa... | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Displacement of pepstatin A from recombinant Plasmodium falciparum plasmepsin 2 by NMR analysis | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin D (Homo sapiens (Human)) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of CatD (unknown origin) preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition by FRET assa... | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition... | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin I (Plasmodium falciparum) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 1 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition... | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmepsin 2 (Plasmodium falciparum) | BDBM50139142![]() (CHEMBL3764405) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
Latvian Institute of Organic Synthesis Curated by ChEMBL | Assay Description Inhibition of Plasmodium falciparum plasmepsin 2 preincubated for 30 mins followed by DABCYL-Glu-Arg-Nle-Phe-Leu-Ser-Phe-Pro-EDANS substrate addition... | J Med Chem 59: 374-87 (2016) BindingDB Entry DOI: 10.7270/Q26975DP | |||||||||||
More data for this Ligand-Target Pair |