BDBM15604 (R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-2-carboxamide::N-[(1R)-1-cyclohexylethyl]-N-methyl-1H-pyrrole-2-carboxamide::pyrrole inhibitor 29
SMILES: C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1
InChI Key: InChIKey=KLBQGOXWMAAINP-LLVKDONJSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Monoamine Oxidase Type A (MAO-A) (Bos taurus) | BDBM15604 ((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Roma La Sapienza | Assay Description MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk... | J Med Chem 50: 922-31 (2007) Article DOI: 10.1021/jm060882y BindingDB Entry DOI: 10.7270/Q2GH9G61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Bos taurus) | BDBM15604 ((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Roma La Sapienza | Assay Description MAO A and MAO B activities were determined spectrophotometrically using kinuramine as substrates. Fluorimetric measurements were recorded with a Perk... | J Med Chem 50: 922-31 (2007) Article DOI: 10.1021/jm060882y BindingDB Entry DOI: 10.7270/Q2GH9G61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM15604 ((R)-N-(alpha-Cyclohexylethyl),N-methyl-1H-pyrrole-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 1.70E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bharati Vidyapeeth Deemed University Curated by ChEMBL | Assay Description Inhibition of MAO-A receptor | Bioorg Med Chem Lett 21: 2419-24 (2011) Article DOI: 10.1016/j.bmcl.2011.02.072 BindingDB Entry DOI: 10.7270/Q2QZ2C6S | |||||||||||
More data for this Ligand-Target Pair |