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BDBM312320 3-[3-(3-Isopropyl-[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 68

SMILES: CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12

InChI Key: InChIKey=JRECSMPJLHPXAZ-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 = 312320   
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))
BDBM312320
PNG
(3-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-t...)
Show SMILES CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C23H27N3O4S/c1-11(2)19-24-21(30-26-19)18-14-5-3-4-6-15(14)31-22(18)25-20(27)16-12-7-9-13(10-8-12)17(16)23(28)29/h11-13H,3-10H2,1-2H3,(H,25,27)(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))
BDBM312320
PNG
(3-[3-(3-Isopropyl-[1,2,4]oxadiazol-5-yl)-4,5,6,7-t...)
Show SMILES CC(C)c1noc(n1)-c1c(NC(=O)C2=C(C3CCC2CC3)C(O)=O)sc2CCCCc12
Show InChI InChI=1S/C23H27N3O4S/c1-11(2)19-24-21(30-26-19)18-14-5-3-4-6-15(14)31-22(18)25-20(27)16-12-7-9-13(10-8-12)17(16)23(28)29/h11-13H,3-10H2,1-2H3,(H,25,27)(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