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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid synthase (FAS)' and Ligand = 'BDBM183575'   
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))
BDBM183575
PNG
(US9670142, A73 4'-methyl-biphenyl-4-carboxylic...)
Show SMILES CCC(=O)N[C@H]1CC[C@H](C1)N(C)C(=O)c1ccc(cc1)-c1ccc(C)cc1
Show InChI InChI=1S/C23H28N2O2/c1-4-22(26)24-20-13-14-21(15-20)25(3)23(27)19-11-9-18(10-12-19)17-7-5-16(2)6-8-17/h5-12,20-21H,4,13-15H2,1-3H3,(H,24,26)/t20-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<300n/an/an/an/a7.025



Merck Patent GmbH

US Patent


Assay Description
The biochemical FASN activity testing was performed as 384 well two-time-point kinetic fluorescence intensity assay format in Greiner low volume medi...


US Patent US9670142 (2017)


BindingDB Entry DOI: 10.7270/Q2JW8C21
More data for this
Ligand-Target Pair