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BDBM312471 2-[5-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-3,4-dihydro-2H-thieno[2,3-b]pyran-6-ylcarbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 217

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1

InChI Key: InChIKey=RTVNMPQRCAODMR-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 = 312471   
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))
BDBM312471
PNG
(2-[5-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-3,4-dih...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O5S/c23-15(10-3-1-4-11(10)18(24)25)21-17-13(12-5-2-8-26-19(12)28-17)16-20-14(22-27-16)9-6-7-9/h9H,1-8H2,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 34n/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))
BDBM312471
PNG
(2-[5-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-3,4-dih...)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sc2OCCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C19H19N3O5S/c23-15(10-3-1-4-11(10)18(24)25)21-17-13(12-5-2-8-26-19(12)28-17)16-20-14(22-27-16)9-6-7-9/h9H,1-8H2,(H,21,23)(H,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 9n/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