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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 4 (FABP4)' and Ligand = 'BDBM234682'   
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 4 (FABP4)


(Homo sapiens (Human))
BDBM234682
PNG
(US9353102, 5)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C(F)(F)F)c1C1CC1
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-11(8-5-6-8)12(14-23-17(24-28-14)18(19,20)21)15(29-7)22-13(25)9-3-2-4-10(9)16(26)27/h8H,2-6H2,1H3,(H,22,25)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair