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BDBM50400128 CHEMBL2178992

SMILES: CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1

InChI Key: InChIKey=SEVWWDILWVSPBO-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50400128   
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


(Bos taurus)
BDBM50400128
PNG
(CHEMBL2178992)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
6.60n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair
Monoamine oxidase


(Bos taurus)
BDBM50400128
PNG
(CHEMBL2178992)
Show SMILES CCN(CC)CCSc1nnc(COc2ccc3c(C)cc(=O)oc3c2)o1
Show InChI InChI=1S/C19H23N3O4S/c1-4-22(5-2)8-9-27-19-21-20-17(26-19)12-24-14-6-7-15-13(3)10-18(23)25-16(15)11-14/h6-7,10-11H,4-5,8-9,12H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
556n/an/an/an/an/an/an/an/a



National Research Center

Curated by ChEMBL


Assay Description
Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorome...


J Med Chem 55: 10424-36 (2012)


Article DOI: 10.1021/jm301014y
BindingDB Entry DOI: 10.7270/Q2G73FWJ
More data for this
Ligand-Target Pair