Reaction Details Report a problem with these data
Target
Fatty acid-binding protein 5
Ligand
BDBM234679
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
pH
7.5±n/a
IC50
40±n/a nM
Comments
extracted
Citation
 Buettelmann, B; Ceccarelli, SM; Kuehne, H; Kuhn, B; Neidhart, W; Obst Sander, U; Richter, H Non-annulated thiophenylamides US Patent  US9353102 Publication Date 5/31/2016 
Target
Name:
Fatty acid-binding protein 5
Synonyms:
FABP5 | FABP5_HUMAN | Fatty acid binding protein epidermal | Fatty acid-binding protein 5 (FABP5)
Type:
Enzyme
Mol. Mass.:
15164.79
Organism:
Homo sapiens (Human)
Description:
Q01469
Residue:
135
Sequence:
MATVQQLEGRWRLVDSKGFDEYMKELGVGIALRKMGAMAKPDCIITCDGKNLTIKTESTLKTTQFSCTLGEKFEETTADGRKTQTVCNFTDGALVQHQEWDGKESTITRKLKDGKLVVECVMNNVTCTRIYEKVE
  
Inhibitor
Name:
BDBM234679
Synonyms:
US9353102, 4.3
Type:
Small organic molecule
Emp. Form.:
C23H25N3O4S
Mol. Mass.:
439.527
SMILES:
Cc1sc(NC(=O)C2=C(C3CCC2CC3)C(O)=O)c(-c2nc(no2)C2CC2)c1C1CC1 |t:7,TLB:15:8:10.11:14.13,THB:5:7:10.11:14.13,(-4.55,-2.3,;-3.21,-1.53,;-1.75,-2,;-.84,-.76,;.7,-.76,;1.47,-2.09,;.7,-3.43,;3.01,-2.09,;3.78,-3.43,;5.32,-3.43,;6.09,-2.09,;5.32,-.76,;3.78,-.76,;3.78,-2.01,;5.32,-2.01,;3.01,-4.76,;1.47,-4.76,;3.78,-6.09,;-1.75,.49,;-1.35,1.97,;.11,2.45,;.11,3.99,;-1.35,4.47,;-2.26,3.22,;1.45,4.76,;2.99,4.76,;2.22,6.09,;-3.21,.01,;-4.55,.78,;-5.32,2.11,;-6.09,.78,)|
Structure:
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