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BDBM50133625 1-Benzyl-5-chloro-1H-indole-2,3-dione::CHEMBL336693
SMILES: Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
InChI Key: InChIKey=CCPOUFJZMAONLI-UHFFFAOYSA-N
Data: 5 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Falcipain-2 (Plasmodium falciparum) | BDBM50133625 (1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4.69E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibitory activity was tested against Falcipain-2 | Bioorg Med Chem Lett 13: 3527-30 (2003) BindingDB Entry DOI: 10.7270/Q2SQ8ZSX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Cruzipain (Trypanosoma cruzi) | BDBM50133625 (1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 9.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Cape Town Curated by ChEMBL | Assay Description Inhibitory activity against the Trypanosoma cruzi cysteine protease cruzain | Bioorg Med Chem Lett 13: 3527-30 (2003) BindingDB Entry DOI: 10.7270/Q2SQ8ZSX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aldehyde dehydrogenase 1A1 (ALDH1A1) (Homo sapiens (Human)) | BDBM50133625 (1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH1A1 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presenc... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM50133625 (1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of human ALDH2 using propionaldehyde as substrate preincubated for 2 mins followed by substrate addition by spectrophotometry in presence ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Aldehyde dehydrogenase 3A1 (ALDH3A1) (Homo sapiens (Human)) | BDBM50133625 (1-Benzyl-5-chloro-1H-indole-2,3-dione | CHEMBL3366...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Inhibition of full length human ALDH3A1 expressed in Escherichia coli BL21 (DE3) using benzaldehyde as substrate preincubated for 2 mins followed by ... | J Med Chem 57: 714-22 (2014) Article DOI: 10.1021/jm401377v BindingDB Entry DOI: 10.7270/Q21V5GF2 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
