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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM312347'   
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-binding protein 5


(Homo sapiens (Human))
BDBM312347
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-6-methy...)
Show SMILES CC1CCc2c(C1)sc(NC(=O)C1=C(C3CCC1CC3)C(O)=O)c2-c1nc(no1)C1CC1 |t:13,(-6.65,-2.22,;-5.32,-1.45,;-5.32,.09,;-3.98,.86,;-2.65,.09,;-2.65,-1.45,;-3.98,-2.22,;-1.18,-1.93,;-.28,-.68,;1.26,-.68,;2.03,-2.02,;1.26,-3.35,;3.57,-2.02,;4.34,-3.35,;5.88,-3.35,;6.65,-2.02,;5.88,-.68,;4.34,-.68,;5.67,-1.45,;4.55,-2.58,;3.57,-4.68,;2.03,-4.68,;4.34,-6.02,;-1.18,.56,;-.41,1.9,;1.05,2.37,;1.05,3.91,;-.41,4.39,;-1.32,3.14,;2.38,4.68,;3.92,4.68,;3.15,6.02,)|
Show InChI InChI=1S/C24H27N3O4S/c1-11-2-9-15-16(10-11)32-23(19(15)22-25-20(27-31-22)14-7-8-14)26-21(28)17-12-3-5-13(6-4-12)18(17)24(29)30/h11-14H,2-10H2,1H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)


BindingDB Entry DOI: 10.7270/Q2FX7CJB
More data for this
Ligand-Target Pair