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PDB code 2V60

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Monoamine oxidase B (MAO-B)

  (520/520 = 100%)
(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
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Similars

AffyNet 
MMDB
PDB
Article
PubMed
400 -36.5n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Monoamine Oxidase Type B (MAO-B)

  (461/519 = 89%)
(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

AffyNet 
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


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

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output