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PDB code 4PIV

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits 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)

  (417/432 = 97%)
(Homo sapiens (Human))
BDBM119133
PNG
((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...)
Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1
Show InChI InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 7.70n/an/an/an/an/an/a



GlaxoSmithKline



Assay Description
Inhibition of FAS by GSK2194069 was measured by an endpoint assay for thiols using a fluorescent maleimide.


Nat Chem Biol 10: 774-9 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Fatty acid synthase (FAS)

  (417/432 = 97%)
(Homo sapiens (Human))
BDBM119133
PNG
((S)-4-(4-(Benzofuran-5-yl)phenyl)-3-((1-(cycloprop...)
Show SMILES O=C(C1CC1)N1CC[C@@H](Cc2n[nH]c(=O)n2-c2ccc(cc2)-c2ccc3occc3c2)C1
Show InChI InChI=1S/C25H24N4O3/c30-24(18-1-2-18)28-11-9-16(15-28)13-23-26-27-25(31)29(23)21-6-3-17(4-7-21)19-5-8-22-20(14-19)10-12-32-22/h3-8,10,12,14,16,18H,1-2,9,11,13,15H2,(H,27,31)/t16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
PDB
UniChem

Similars

PDB
US Patent
n/an/a 10n/an/an/an/an/an/a



GlaxoSmithKline LLC

US Patent


Assay Description
Assay #1:Inhibition of FAS activity can be measured based on the detection of residual NADPH substrate after the FAS assay is quenched. This assay is...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output