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BDBM234684 US9353102, 6.1

SMILES: OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1

InChI Key: InChIKey=ACTRFALXAIUYJS-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 = 234684   
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))
BDBM234684
PNG
(US9353102, 6.1)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C16H15N3O4S/c20-13(9-2-1-3-10(9)16(21)22)18-15-11(6-7-24-15)14-17-12(19-23-14)8-4-5-8/h6-8H,1-5H2,(H,18,20)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 890n/an/an/an/an/an/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 4 (FABP4)


(Homo sapiens (Human))
BDBM234684
PNG
(US9353102, 6.1)
Show SMILES OC(=O)C1=C(CCC1)C(=O)Nc1sccc1-c1nc(no1)C1CC1
Show InChI InChI=1S/C16H15N3O4S/c20-13(9-2-1-3-10(9)16(21)22)18-15-11(6-7-24-15)14-17-12(19-23-14)8-4-5-8/h6-8H,1-5H2,(H,18,20)(H,21,22)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 10n/an/an/an/an/an/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