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BDBM50468359 CHEMBL4285684

SMILES: COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O

InChI Key: InChIKey=JZHNKEXLWCIYFC-UHFFFAOYSA-N

Data: 1 KI  2 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 = 50468359   
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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50468359
PNG
(CHEMBL4285684)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
400n/an/an/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay


Eur J Med Chem 154: 44-59 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.007
BindingDB Entry DOI: 10.7270/Q2BR8VWB
More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens (Human))
BDBM50468359
PNG
(CHEMBL4285684)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin)


Eur J Med Chem 154: 44-59 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.007
BindingDB Entry DOI: 10.7270/Q2BR8VWB
More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM50468359
PNG
(CHEMBL4285684)
Show SMILES COc1ccc(c2ccccc12)S(=O)(=O)Nc1cccc(c1)C(O)=O
Show InChI InChI=1S/C18H15NO5S/c1-24-16-9-10-17(15-8-3-2-7-14(15)16)25(22,23)19-13-6-4-5-12(11-13)18(20)21/h2-11,19H,1H3,(H,20,21)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.22E+3n/an/an/an/an/an/a



Fudan University

Curated by ChEMBL


Assay Description
Displacement of 1,8-ANS from FABP4 (unknown origin) after 3 mins by fluorescence assay


Eur J Med Chem 154: 44-59 (2018)


Article DOI: 10.1016/j.ejmech.2018.05.007
BindingDB Entry DOI: 10.7270/Q2BR8VWB
More data for this
Ligand-Target Pair