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SMILES: OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1

InChI Key: InChIKey=YBQHFZNBCISVBS-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 = 212447   
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))
BDBM212447
PNG
(US9278918, 33)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.36E+4n/an/an/an/a7.525



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 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair
Fatty acid-binding protein, adipocyte


(Homo sapiens (Human))
BDBM212447
PNG
(US9278918, 33)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccccc1
Show InChI InChI=1S/C19H19ClN2O3/c20-14-8-9-15(13-6-2-1-3-7-13)16(12-14)21-18(25)22-19(17(23)24)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,23,24)(H2,21,22,25)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 150n/an/an/an/a7.525



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 uM to 0.003 uM final compound conce...


US Patent US9278918 (2016)


BindingDB Entry DOI: 10.7270/Q28914P6
More data for this
Ligand-Target Pair