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BDBM312391 3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid::US9604977, Example 137

SMILES: OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F

InChI Key: InChIKey=AVEIGYVJUOVLNL-UHFFFAOYSA-N

Data: 2 IC50

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 2 hits for monomerid = 312391   
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 (FABP5)


(Homo sapiens (Human))
BDBM312391
PNG
(3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O4S/c21-20(22,23)19-25-16(30-26-19)14-10-2-1-3-11(10)31-17(14)24-15(27)12-8-4-6-9(7-5-8)13(12)18(28)29/h8-9H,1-7H2,(H,24,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 70n/an/an/an/an/an/a



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312391
PNG
(3-[3-(3-Trifluoromethyl-[1,2,4]oxadiazol-5-yl)-5,6...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N3O4S/c21-20(22,23)19-25-16(30-26-19)14-10-2-1-3-11(10)31-17(14)24-15(27)12-8-4-6-9(7-5-8)13(12)18(28)29/h8-9H,1-7H2,(H,24,27)(H,28,29)
PDB

UniProtKB/SwissProt

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



Hoffman-La Roche Inc.

US Patent


Assay Description
Compounds were profiled for activity against human FABP4 (huFABP4) and/or human FABP5 (huFABP5) in Terbium (Tb) time resolved-fluorescence energy tra...


US Patent US9604977 (2017)

More data for this
Ligand-Target Pair