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PubMed code 24900519

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50391838
PNG
(CHEMBL2147033)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3cnccc3c2)CN1C1CC1
Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)23-5-6-23)10-13-28(14-11-26)34(31,32)24-7-3-19(4-8-24)20-1-2-22-16-27-12-9-21(22)15-20/h1-4,7-9,12,15-16,23H,5-6,10-11,13-14,17-18H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase


ACS Med Chem Lett 3: 612-613 (2012)


Article DOI: 10.1021/ml3001566
BindingDB Entry DOI: 10.7270/Q2ZS2XKS
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50391837
PNG
(CHEMBL2147032)
Show SMILES O=C1COC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3cccnc3c2)CN1C1CC1
Show InChI InChI=1S/C26H27N3O4S/c30-25-17-33-26(18-29(25)22-7-8-22)11-14-28(15-12-26)34(31,32)23-9-5-19(6-10-23)21-4-3-20-2-1-13-27-24(20)16-21/h1-6,9-10,13,16,22H,7-8,11-12,14-15,17-18H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase


ACS Med Chem Lett 3: 612-613 (2012)


Article DOI: 10.1021/ml3001566
BindingDB Entry DOI: 10.7270/Q2ZS2XKS
More data for this
Ligand-Target Pair
Fatty acid synthase (FAS)


(Homo sapiens (Human))
BDBM50391836
PNG
(CHEMBL2147031)
Show SMILES CCN1CC2(CCN(CC2)S(=O)(=O)c2ccc(cc2)-c2ccc3occc3c2)OCC1=O
Show InChI InChI=1S/C24H26N2O5S/c1-2-25-17-24(31-16-23(25)27)10-12-26(13-11-24)32(28,29)21-6-3-18(4-7-21)19-5-8-22-20(15-19)9-14-30-22/h3-9,14-15H,2,10-13,16-17H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 251n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of fatty acid synthase


ACS Med Chem Lett 3: 612-613 (2012)


Article DOI: 10.1021/ml3001566
BindingDB Entry DOI: 10.7270/Q2ZS2XKS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%