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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosinetriphosphatase' and Ligand = 'BDBM50086849'   
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
Adenosinetriphosphatase


(Gallus gallus)
BDBM50086849
PNG
(3-[(3,4-Dichloro-phenylcarbamoyl)-methyl]-N-(2,2,6...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)c1cccc(CC(=O)Nc2ccc(Cl)c(Cl)c2)c1
Show InChI InChI=1S/C24H29Cl2N3O2/c1-23(2)13-18(14-24(3,4)29-23)28-22(31)16-7-5-6-15(10-16)11-21(30)27-17-8-9-19(25)20(26)12-17/h5-10,12,18,29H,11,13-14H2,1-4H3,(H,27,30)(H,28,31)
PDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.90E+3n/an/an/an/an/an/a



AstraZeneca R&D M£lndal

Curated by ChEMBL


Assay Description
Compound was tested for in vitro inhibition of osteoclast vacuolar acid pump


Bioorg Med Chem Lett 10: 503-7 (2000)


Article DOI: 10.1016/s0960-894x(00)00025-1
BindingDB Entry DOI: 10.7270/Q2542P4C
More data for this
Ligand-Target Pair