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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 5' and Ligand = 'BDBM212451'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM212451
PNG
(US9278918, 41)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.96E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Fatty acid-binding protein 5


(Homo sapiens (Human))
BDBM212451
PNG
(US9278918, 41)
Show SMILES OC(=O)C1(CCCC1)NC(=O)Nc1cc(Cl)ccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H18ClFN2O3/c20-13-5-8-15(12-3-6-14(21)7-4-12)16(11-13)22-18(26)23-19(17(24)25)9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,24,25)(H2,22,23,26)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.96E+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