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BDBM50122955 2-(4,6-Difluoro-indan-1-ylidene)-acetamide::CHEMBL130217

SMILES: NC(=O)\C=C1/CCc2c1cc(F)cc2F

InChI Key: InChIKey=AQTRJSKRZHDGEX-ZZXKWVIFSA-N

Data: 3 IC50

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 = 50122955   
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
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50122955
PNG
(2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...)
Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F
Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.10E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase A (MAO-A)


J Med Chem 46: 399-408 (2003)


Article DOI: 10.1021/jm020067s
BindingDB Entry DOI: 10.7270/Q2VH5N7F
More data for this
Ligand-Target Pair
Lysyl oxidase


(Homo sapiens (Human))
BDBM50122955
PNG
(2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...)
Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F
Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against lysyl oxidase


J Med Chem 46: 399-408 (2003)


Article DOI: 10.1021/jm020067s
BindingDB Entry DOI: 10.7270/Q2VH5N7F
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50122955
PNG
(2-(4,6-Difluoro-indan-1-ylidene)-acetamide | CHEMB...)
Show SMILES NC(=O)\C=C1/CCc2c1cc(F)cc2F
Show InChI InChI=1S/C11H9F2NO/c12-7-4-9-6(3-11(14)15)1-2-8(9)10(13)5-7/h3-5H,1-2H2,(H2,14,15)/b6-3+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against Monoamine oxidase B (MAO-B)


J Med Chem 46: 399-408 (2003)


Article DOI: 10.1021/jm020067s
BindingDB Entry DOI: 10.7270/Q2VH5N7F
More data for this
Ligand-Target Pair