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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  1 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 3 hits for monomerid = 19189   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Monoamine oxidase type B (MAO-B)


(Homo sapiens (Human))
BDBM19189
PNG
(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

GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
400 -8.72n/an/an/an/an/a7.525



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)

More data for this
Ligand-Target Pair
Monoamine oxidase type A (MAO-A)


(Homo sapiens (Human))
BDBM19189
PNG
(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
UniProtKB/SwissProt

GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
1.10E+4 -6.76n/an/an/an/an/a7.525



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)

More data for this
Ligand-Target Pair
Monoamine Oxidase Type B (MAO-B)


(Rattus norvegicus (rat))
BDBM19189
PNG
(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/an/a 52n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)