BindingDB logo
myBDB logout

BDBM50350497 CHEMBL1814649

SMILES: OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1

InChI Key: InChIKey=NAXSBLRSPVANEC-UHFFFAOYSA-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 = 50350497   
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
CDGSH iron-sulfur domain-containing protein 1


(Homo sapiens (Human))
BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.11E+4n/an/an/an/an/an/a



Northeast Ohio Medical University

Curated by ChEMBL


Assay Description
Displacement of [3H]-rosiglitazone from human recombinant C-terminal His-tagged cytosolic domain of mitoNEET (32-108) by scintillation proximity assa...


Bioorg Med Chem Lett 21: 5498-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.111
BindingDB Entry DOI: 10.7270/Q2T43TFB
More data for this
Ligand-Target Pair
Amine oxidase (flavin-containing) A


(Homo sapiens (Human))
BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.53E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA assessed as inhibition of kynuramine conversion to fluorescent metabolite 4-hydroxyquinoline by fluorimetry


Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50350497
PNG
(CHEMBL1814649)
Show SMILES OC1=NC(=O)C(S1)=CC(=O)Nc1ccccc1 |w:7.8,t:1|
Show InChI InChI=1S/C11H8N2O3S/c14-9(12-7-4-2-1-3-5-7)6-8-10(15)13-11(16)17-8/h1-6H,(H,12,14)(H,13,15,16)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



Northeastern Ohio Universities Colleges of Medicine and Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB by amplex red assay


Bioorg Med Chem Lett 21: 4798-803 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.060
BindingDB Entry DOI: 10.7270/Q2GX4CKZ
More data for this
Ligand-Target Pair