Reaction Details Report a problem with these data
Target
Fatty acid-binding protein, adipocyte
Ligand
BDBM312376
Substrate
n/a
Meas. Tech.
Time Resolved-Fluorescence Energy Transfer (TR-FRET) Assay
IC50
40.0±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:
BDBM312376
Synonyms:
3-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid | US9604977, Example 122
Type:
Small organic molecule
Emp. Form.:
C22H25N3O4S
Mol. Mass.:
427.517
SMILES:
Cc1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCCc12 |t:12,(2.07,5.35,;.74,4.58,;-.73,5.06,;-1.63,3.81,;-.73,2.56,;.74,3.04,;-1.5,1.23,;-.59,-.02,;.95,-.02,;1.72,-1.35,;.95,-2.68,;3.26,-1.35,;4.03,-2.68,;5.57,-2.68,;6.34,-1.35,;5.57,-.02,;4.03,-.02,;5.36,-.79,;4.23,-1.91,;3.26,-4.02,;1.72,-4.02,;4.03,-5.35,;-1.5,-1.26,;-2.96,-.79,;-4.17,-1.75,;-5.67,-1.4,;-6.34,-.02,;-5.67,1.37,;-4.17,1.71,;-2.96,.75,)|
Structure:
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