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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Adenosinetriphosphatase' and Ligand = 'BDBM50086850'   
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)
BDBM50086850
PNG
((2E,4E)-Hexa-2,4-dienedioic acid (3,4-dichloro-phe...)
Show SMILES CC1(C)CC(CC(C)(C)N1)NC(=O)\C=C\C=C\C(=O)Nc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C21H27Cl2N3O2/c1-20(2)12-15(13-21(3,4)26-20)25-19(28)8-6-5-7-18(27)24-14-9-10-16(22)17(23)11-14/h5-11,15,26H,12-13H2,1-4H3,(H,24,27)(H,25,28)/b7-5+,8-6+
PDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+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