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PDB code 6HDN

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATPase family AAA domain-containing protein 2

  (128/128 = 100%)
(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
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n/an/a 2.51E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of histone H4 peptide from FLAG-6His-Tev-ATAD2 (981 to 1121) (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by ...


J Med Chem 58: 5649-73 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00772
BindingDB Entry DOI: 10.7270/Q2PR7XQN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
ATPase family AAA domain-containing protein 2

  (128/128 = 100%)
(Homo sapiens (Human))
BDBM50096319
PNG
(CHEMBL3586718)
Show SMILES CN1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nccc2cc(C)c(=O)[nH]c12
Show InChI InChI=1S/C23H19N3O/c1-16-8-7-9-17(2)22(16)26-21(14-13-18-10-5-6-15-24-18)25-20-12-4-3-11-19(20)23(26)27/h3-15H,1-2H3/b14-13+
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MMDB

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KEGG

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UniChem

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Article
PubMed
n/an/a 3.16E+4n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of N-terminal FLAG-6His-tagged TEV-fused ATAD2 (981 to 1121 residues) (unknown origin) expressed in Escherichia coli BL21(DE3) after 30 mi...


J Med Chem 61: 8321-8336 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00862
BindingDB Entry DOI: 10.7270/Q2125WBR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output