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BDBM312401 2-[6,6-Difluoro-3-(3-trifluoromethyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-tetrahydro-benzo[b]-thiophen-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 147

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F

InChI Key: InChIKey=KPVNOEGEWHTHHN-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 = 312401   
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))
BDBM312401
PNG
(2-[6,6-Difluoro-3-(3-trifluoromethyl-[1,2,4]oxadia...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H14F5N3O4S/c19-17(20)5-4-9-10(6-17)31-14(11(9)13-25-16(26-30-13)18(21,22)23)24-12(27)7-2-1-3-8(7)15(28)29/h1-6H2,(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
Fatty acid-binding protein 4 (FABP4)


(Homo sapiens (Human))
BDBM312401
PNG
(2-[6,6-Difluoro-3-(3-trifluoromethyl-[1,2,4]oxadia...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2CC(F)(F)CCc2c1-c1nc(no1)C(F)(F)F
Show InChI InChI=1S/C18H14F5N3O4S/c19-17(20)5-4-9-10(6-17)31-14(11(9)13-25-16(26-30-13)18(21,22)23)24-12(27)7-2-1-3-8(7)15(28)29/h1-6H2,(H,24,27)(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 10n/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