BDBM50236910 CHEMBL4083412
SMILES: C\C(=N/O)c1cc2cc(Br)ccc2oc1=O
InChI Key: InChIKey=RKYDEELLDNWAII-AWNIVKPZSA-N
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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Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM50236910 (CHEMBL4083412) | 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 | 2.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Indiana University School of Medicine Curated by ChEMBL | Assay Description Competitive inhibition of full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity using pro... | J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldehyde dehydrogenase, mitochondrial (Homo sapiens (Human)) | BDBM50236910 (CHEMBL4083412) | 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 | 4.60E+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 full length recombinant human ALDH2 expressed in Escherichia coli assessed as reduction in dehydrogenase activity by measuring NAD(P)H ... | J Med Chem 60: 2439-2455 (2017) Article DOI: 10.1021/acs.jmedchem.6b01825 BindingDB Entry DOI: 10.7270/Q2M32Z11 | |||||||||||
More data for this Ligand-Target Pair |