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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Fatty acid-binding protein 4 (FABP4)' and Ligand = 'BDBM234683'   
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 4 (FABP4)


(Homo sapiens (Human))
BDBM234683
PNG
(US9353102, 6)
Show SMILES Cc1cc(c(NC(=O)C2=C(CCC2)C(O)=O)s1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C17H17N3O4S/c1-8-7-12(15-18-13(20-24-15)9-5-6-9)16(25-8)19-14(21)10-3-2-4-11(10)17(22)23/h7,9H,2-6H2,1H3,(H,19,21)(H,22,23)
PDB

UniProtKB/SwissProt

GoogleScholar
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