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BDBM312388 3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylcarbamoyl]-bicyclo[2.2.2]oct-2-ene-2-carboxylic acid::US9604977, Example 134

SMILES: OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1

InChI Key: InChIKey=DGCAURMHRVILRY-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 = 312388   
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))
BDBM312388
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6-dih...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H23N3O4S/c26-19(15-10-4-6-11(7-5-10)16(15)22(27)28)24-21-17(13-2-1-3-14(13)30-21)20-23-18(25-29-20)12-8-9-12/h10-12H,1-9H2,(H,24,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 80n/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))
BDBM312388
PNG
(3-[3-(3-Cyclopropyl-[1,2,4]oxadiazol-5-yl)-5,6-dih...)
Show SMILES OC(=O)C1=C(C2CCC1CC2)C(=O)Nc1sc2CCCc2c1-c1nc(no1)C1CC1
Show InChI InChI=1S/C22H23N3O4S/c26-19(15-10-4-6-11(7-5-10)16(15)22(27)28)24-21-17(13-2-1-3-14(13)30-21)20-23-18(25-29-20)12-8-9-12/h10-12H,1-9H2,(H,24,26)(H,27,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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