Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM312314
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
IC50
10.00±n/a nM
Citation
 Buettelmann, B; Ceccarelli, SM; Kuehne, H; Kuhn, B; Neidhart, W; Obst Sander, U; Richter, H Bicyclic thiophenylamide compounds US Patent  US9604977 Publication Date 3/28/2017 
Target
Name:
Fatty acid-binding protein, adipocyte
Synonyms:
A-FABP | AFABP | ALBP | Adipocyte lipid-binding protein | FABP4 | FABP4_HUMAN | Fatty acid binding protein adipocyte | Fatty acid-binding protein 4 | Fatty acid-binding protein 4 (FABP4)
Type:
Enzyme
Mol. Mass.:
14719.23
Organism:
Homo sapiens (Human)
Description:
P15090
Residue:
132
Sequence:
MCDAFVGTWKLVSSENFDDYMKEVGVGFATRKVAGMAKPNMIISVNGDVITIKSESTFKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVHVQKWDGKSTTIKRKREDDKLVVECVMKGVTSTRVYERA
  
Inhibitor
Name:
BDBM312314
Synonyms:
3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 62
Type:
Small organic molecule
Emp. Form.:
C21H20F3N3O4S
Mol. Mass.:
467.461
SMILES:
OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCCc2c1-c1nc(no1)C(F)(F)F |t:3,(1.36,-4.68,;2.9,-4.68,;3.67,-6.02,;3.67,-3.35,;2.9,-2.02,;3.67,-.68,;5.21,-.68,;5.98,-2.02,;5.21,-3.35,;4.86,-1.94,;4.07,-2.17,;1.36,-2.02,;.59,-3.35,;.59,-.68,;-.95,-.68,;-1.85,-1.93,;-3.32,-1.45,;-4.65,-2.22,;-5.98,-1.45,;-5.98,.09,;-4.65,.86,;-3.32,.09,;-1.85,.56,;-1.08,1.9,;.38,2.37,;.38,3.91,;-1.08,4.39,;-1.99,3.14,;1.72,4.68,;3.05,3.91,;.95,6.02,;2.49,6.02,)|
Structure:
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