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SMILES: Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F

InChI Key: InChIKey=LSQVSSALMISTEJ-UHFFFAOYSA-N

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 = 234687   
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


(Homo sapiens (Human))
BDBM234687
PNG
(US9353102, 6.4)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F |t:7|
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-12(18(19,20)21)11(15-22-13(24-28-15)8-5-6-8)16(29-7)23-14(25)9-3-2-4-10(9)17(26)27/h8H,2-6H2,1H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 60n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM234687
PNG
(US9353102, 6.4)
Show SMILES Cc1sc(NC(=O)C2=C(CCC2)C(O)=O)c(-c2nc(no2)C2CC2)c1C(F)(F)F |t:7|
Show InChI InChI=1S/C18H16F3N3O4S/c1-7-12(18(19,20)21)11(15-22-13(24-28-15)8-5-6-8)16(29-7)23-14(25)9-3-2-4-10(9)17(26)27/h8H,2-6H2,1H3,(H,23,25)(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20n/an/an/an/a7.5n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Stock DMSO solutions (1.8 mM) of compounds were serially diluted 3-fold for ten concentrations with 100% DMSO (50 μM to 0.003 μM final comp...


US Patent US9353102 (2016)


BindingDB Entry DOI: 10.7270/Q23F4NH4
More data for this
Ligand-Target Pair