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BDBM50063854 CHEMBL3400157

SMILES: CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O

InChI Key: InChIKey=YHGKEORTCHVBQH-UHFFFAOYSA-N

Data: 4 IC50

PDB links: 1 PDB ID matches this monomer.

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 4 hits for monomerid = 50063854   
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))
BDBM50063854
PNG
(CHEMBL3400157)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O
Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin)


Eur J Med Chem 90: 241-50 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid-binding protein 5 (FABP5)


(Homo sapiens (Human))
BDBM50063854
PNG
(CHEMBL3400157)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O
Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
PDB

UniProtKB/SwissProt

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AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP5 (unknown origin)


Eur J Med Chem 90: 241-50 (2015)

More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50063854
PNG
(CHEMBL3400157)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O
Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.16E+3n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP3 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)

More data for this
Ligand-Target Pair
Fatty acid binding protein muscle


(Homo sapiens)
BDBM50063854
PNG
(CHEMBL3400157)
Show SMILES CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(O)(=O)=O
Show InChI InChI=1S/C15H24O3S/c1-9(2)12-7-13(10(3)4)15(19(16,17)18)14(8-12)11(5)6/h7-11H,1-6H3,(H,16,17,18)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of FABP4 (unknown origin) relative to linoleic acid


Eur J Med Chem 90: 241-50 (2015)

More data for this
Ligand-Target Pair