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BDBM312490 2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,5-dimethyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-ylcarbamoyl]-cyclopent-1-enecarboxylic acid::US9604977, Example 236

SMILES: CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1

InChI Key: InChIKey=RLEBTWMSJBDSFI-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 = 312490   
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))
BDBM312490
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,5-dim...)
Show SMILES CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1
Show InChI InChI=1S/C22H25N3O4S/c1-22(2)9-8-15-14(10-22)16(19-23-17(25-29-19)11-6-7-11)20(30-15)24-18(26)12-4-3-5-13(12)21(27)28/h11H,3-10H2,1-2H3,(H,24,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 38n/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))
BDBM312490
PNG
(2-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,5-dim...)
Show SMILES CC1(C)CCc2sc(NC(=O)C3=C(CCC3)C(O)=O)c(-c3nc(no3)C3CC3)c2C1
Show InChI InChI=1S/C22H25N3O4S/c1-22(2)9-8-15-14(10-22)16(19-23-17(25-29-19)11-6-7-11)20(30-15)24-18(26)12-4-3-5-13(12)21(27)28/h11H,3-10H2,1-2H3,(H,24,26)(H,27,28)
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