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BDBM312331 2-[3-(4-Methyl-oxazol-2-yl)-4,7-dihydro-5H-thieno[2,3-c]pyran-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 78

SMILES: Cc1coc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12

InChI Key: InChIKey=AVBMIWSWTVKCJE-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 = 312331   
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))
BDBM312331
PNG
(2-[3-(4-Methyl-oxazol-2-yl)-4,7-dihydro-5H-thieno[...)
Show SMILES Cc1coc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12
Show InChI InChI=1S/C18H18N2O5S/c1-9-7-25-16(19-9)14-12-5-6-24-8-13(12)26-17(14)20-15(21)10-3-2-4-11(10)18(22)23/h7H,2-6,8H2,1H3,(H,20,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 550n/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))
BDBM312331
PNG
(2-[3-(4-Methyl-oxazol-2-yl)-4,7-dihydro-5H-thieno[...)
Show SMILES Cc1coc(n1)-c1c(NC(=O)C2=C(CCC2)C(O)=O)sc2COCCc12
Show InChI InChI=1S/C18H18N2O5S/c1-9-7-25-16(19-9)14-12-5-6-24-8-13(12)26-17(14)20-15(21)10-3-2-4-11(10)18(22)23/h7H,2-6,8H2,1H3,(H,20,21)(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