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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 355.3
BDBM495021

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
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
Acetyl-CoA carboxylase 1


(Homo sapiens (Human))
BDBM495021
PNG
(2-(4-(4-phenylquinolin-2- yl)phenoxy)acetic acid |...)
Show SMILES OC(=O)COc1ccc(cc1)-c1cc(-c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C23H17NO3/c25-23(26)15-27-18-12-10-17(11-13-18)22-14-20(16-6-2-1-3-7-16)19-8-4-5-9-21(19)24-22/h1-14H,15H2,(H,25,26)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 165n/an/an/an/an/an/a



Monsanto Technology LLC

US Patent


Assay Description
Ustilago maydis acetyl CoA carboxylase (ACCase) was cloned, expressed, and purified as described (Weatherly et al, Biochem. J., 2004) and the test c...


US Patent US10995070 (2021)


BindingDB Entry DOI: 10.7270/Q2J10680
More data for this
Ligand-Target Pair