BDBM19189 7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3::7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromene-4-carbaldehyde::C17

SMILES: Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1

InChI Key: InChIKey=ZOCADHRNWNJARU-UHFFFAOYSA-N

Data: 2 KI  2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 19189   

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))	BDBM19189 (7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3...) Show SMILES Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1 Show InChI InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	400	-8.72	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))	BDBM19189 (7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3...) Show SMILES Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1 Show InChI InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.10E+4	-6.76	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
Monoamine oxidase (Rattus norvegicus (rat))	BDBM19189 (7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3...) Show SMILES Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1 Show InChI InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	52	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) Article DOI: 10.1016/j.ejmech.2013.09.034 BindingDB Entry DOI: 10.7270/Q2WM1HCD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B) (Rattus norvegicus (rat))	BDBM19189 (7-(3-Chlorobenzyloxy)-4-carboxaldehyde-coumarin, 3...) Show SMILES Clc1cccc(COc2ccc3c(C=O)cc(=O)oc3c2)c1 Show InChI InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	52	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)