BDBM50086229 CHEMBL326815
SMILES: Cc1c(O)c(=O)ccn1-c1ccccc1
InChI Key: InChIKey=BNXSABDYGOUQQI-UHFFFAOYSA-N
Data: 4 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 |
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Catechol O-methyltransferase (MB-COMT) (Homo sapiens (Human)) | BDBM50086229 (CHEMBL326815) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of C-terminal His6-tagged recombinant human membrane bound COMT expressed in Bacmid infected Sf-9 insect cells using dopamine/SAM as subst... | ACS Med Chem Lett 6: 318-23 (2015) Article DOI: 10.1021/ml500502d BindingDB Entry DOI: 10.7270/Q2K35WDZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50086229 (CHEMBL326815) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 2.20E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of British Columbia Curated by ChEMBL | Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate by Ellman's method | Bioorg Med Chem Lett 26: 1624-8 (2016) BindingDB Entry DOI: 10.7270/Q2W66NND | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Electrophorus electricus (Electric eel)) | BDBM50086229 (CHEMBL326815) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | n/a | n/a | 2.10E+5 | n/a | n/a | n/a | n/a | n/a | n/a | |
TBA | Citation and Details | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PA/PB1 (Hepatitis C virus) | BDBM50086229 (CHEMBL326815) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego Curated by ChEMBL | Assay Description Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA... | J Med Chem 59: 6444-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00628 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PA/PB1 (Hepatitis C virus) | BDBM50086229 (CHEMBL326815) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego Curated by ChEMBL | Assay Description Inhibition of 8-histidine tagged influenza virus H1N1 N-terminal PA endonuclease expressed in Escherichia coli BL21 cells using single-stranded 5'-FA... | J Med Chem 59: 6444-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00628 | |||||||||||
More data for this Ligand-Target Pair |