BDBM19188 7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumarin, 2::7-[(3-chlorophenyl)methoxy]-4-[(methylamino)methyl]-2H-chromen-2-one::C18::CHEMBL593763
SMILES: CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12
InChI Key: InChIKey=JMGUSOLCNQVZCT-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Amine oxidase [flavin-containing] B (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 100 | -9.54 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Pavia | Assay Description MAO B activities were determined spectrophotometrically at 250 nm using benzylamine as substrate. Competitive Ki values were determined by measuring ... | J Med Chem 50: 5848-5852 (2007) Article DOI: 10.1021/jm070677y BindingDB Entry DOI: 10.7270/Q2DN43B4 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Amine oxidase (flavin-containing) A (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | 1.57E+4 | -6.55 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
University of Pavia | Assay Description MAO A activities were determined spectrophotometrically at 316 nm using kynuramine as substrate. Competitive Ki values were determined by measuring i... | J Med Chem 50: 5848-5852 (2007) Article DOI: 10.1021/jm070677y BindingDB Entry DOI: 10.7270/Q2DN43B4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP1A2 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2C9 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat MAO-B using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub... | Eur J Med Chem 70: 723-39 (2013) BindingDB Entry DOI: 10.7270/Q2WM1HCD | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2D6 (2D6) (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2D6 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2E1 (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2E1 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP3A4 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of MAO-A from Wistar rat brain by radioenzymatic assay | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Monoamine oxidase (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | PubMed | n/a | n/a | 5.89E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari "Aldo Moro" Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat MAO-A using Kynuramine as substrate assessed as formation of 4-hydroxyquinoline preincubated for 5 mins prior to sub... | Eur J Med Chem 70: 723-39 (2013) BindingDB Entry DOI: 10.7270/Q2WM1HCD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of MAO-B from Wistar rat brain by radioenzymatic assay in presence of human platelet rich plasma | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | MMDB PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Bari"Aldo Moro" Curated by ChEMBL | Assay Description Inhibition of Sprague-Dawley rat MAO-B in brain mitochondrial homogenate assessed as 4-hydroxyquinoline by spectrophotometric method | Eur J Med Chem 89: 98-105 (2014) Article DOI: 10.1016/j.ejmech.2014.10.029 BindingDB Entry DOI: 10.7270/Q2FX7C3H | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) | ||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM19188![]() (7-(3-chlorobenzyloxy)-4-(methylamino)methyl-coumar...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar | Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars | Article PubMed | n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Bari Curated by ChEMBL | Assay Description Inhibition of human recombinant CYP2C19 | J Med Chem 52: 6685-706 (2009) Article DOI: 10.1021/jm9010127 BindingDB Entry DOI: 10.7270/Q2DR2VJ6 | |||||||||||
More data for this Ligand-Target Pair |