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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein, adipocyte' and Ligand = 'BDBM312465'   
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, adipocyte


(Homo sapiens (Human))
BDBM312465
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]thiadiazol-5-yl)-4,5,6,...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(ns1)C1CC1 |t:3,(1.79,-5.59,;3.28,-5.2,;4.36,-6.28,;3.67,-3.71,;2.9,-2.37,;3.67,-1.04,;5.21,-1.04,;5.98,-2.37,;5.21,-3.71,;3.88,-2.94,;4.97,-1.85,;1.36,-2.37,;.59,-3.71,;.59,-1.04,;-.95,-1.04,;-1.85,-2.29,;-3.32,-1.81,;-4.65,-2.58,;-5.98,-1.81,;-5.98,-.27,;-4.65,.5,;-3.32,-.27,;-1.85,.2,;-1.45,1.69,;.01,2.17,;.01,3.71,;-1.45,4.18,;-2.36,2.94,;1.1,4.8,;2.59,5.2,;1.5,6.28,)|
Show InChI InChI=1S/C23H25N3O3S2/c27-20(16-11-5-7-12(8-6-11)17(16)23(28)29)25-21-18(14-3-1-2-4-15(14)30-21)22-24-19(26-31-22)13-9-10-13/h11-13H,1-10H2,(H,25,27)(H,28,29)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/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