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BDBM312383 2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-carbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 129

SMILES: Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12

InChI Key: InChIKey=ADYDALWJEVMHCI-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 = 312383   
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))
BDBM312383
PNG
(2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-...)
Show SMILES Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12
Show InChI InChI=1S/C17H17N3O4S/c1-8-18-15(24-20-8)13-11-6-3-7-12(11)25-16(13)19-14(21)9-4-2-5-10(9)17(22)23/h2-7H2,1H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 110n/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))
BDBM312383
PNG
(2-[3-(3-Methyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-...)
Show SMILES Cc1noc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2CCCc12
Show InChI InChI=1S/C17H17N3O4S/c1-8-18-15(24-20-8)13-11-6-3-7-12(11)25-16(13)19-14(21)9-4-2-5-10(9)17(22)23/h2-7H2,1H3,(H,19,21)(H,22,23)
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