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SMILES: OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1

InChI Key: InChIKey=UWVLNPDXTVRILC-BAJYJESISA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 489717   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM489717
PNG
(US10968163, Compound 3l-C)
Show SMILES OC(=O)[C@H]1[C@H]([C@@H]([C@@H]1c1ccccc1)C(=O)O[C@@H]1CCCC[C@H]1c1ccccc1)c1ccccc1 |r,wU:3.2,4.31,16.17,wD:6.7,5.14,21.24,(4.06,-4.33,;2.57,-3.93,;2.17,-2.45,;1.48,-5.02,;1.48,-6.56,;-.06,-6.56,;-.06,-5.02,;-1.15,-3.93,;-.75,-2.45,;-1.84,-1.36,;-3.32,-1.76,;-3.72,-3.24,;-2.63,-4.33,;-1.15,-7.65,;-2.48,-6.88,;-1.15,-9.19,;-2.48,-9.96,;-3.81,-9.19,;-5.15,-9.96,;-5.15,-11.5,;-3.81,-12.27,;-2.48,-11.5,;-1.15,-12.27,;-1.15,-13.81,;.19,-14.58,;1.52,-13.81,;1.52,-12.27,;.19,-11.5,;2.57,-7.65,;2.17,-9.14,;3.26,-10.23,;4.75,-9.83,;5.15,-8.34,;4.06,-7.25,)|
Show InChI InChI=1S/C30H30O4/c31-29(32)27-25(21-14-6-2-7-15-21)28(26(27)22-16-8-3-9-17-22)30(33)34-24-19-11-10-18-23(24)20-12-4-1-5-13-20/h1-9,12-17,23-28H,10-11,18-19H2,(H,31,32)/t23-,24+,25+,26+,27-,28-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
20n/an/an/an/an/an/an/an/a



The Research Foundation for the State University of New York

US Patent


Assay Description
FABP5 was purified and delipidated as described previously (Kaczocha, M. et al. 2012). FABP5 (30 μg), NBD-stearate (1 μM), and a competitor...


US Patent US10968163 (2021)

More data for this
Ligand-Target Pair