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PDB code 2XAE

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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Kinesin-like protein KIF11

  (368/368 = 100%)
(Homo sapiens (Human))
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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PC cid
PC sid
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Similars

MMDB
PDB
Article
PubMed
200 -38.2n/an/an/an/an/an/a25



Institut de Biologie Structurale



Assay Description
The microtubule-activated ATPase rates were measured using the pyruvate kinase/lactate dehydrogenase-linked assay. To optimize the signal for basal E...


J Med Chem 51: 1115-25 (2008)


Article DOI: 10.1021/jm070606z
BindingDB Entry DOI: 10.7270/Q2DJ5CXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11

  (368/368 = 100%)
(Homo sapiens (Human))
BDBM23820
PNG
((2R)-2-amino-3-{[(4-chlorophenyl)diphenylmethyl]su...)
Show SMILES N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(Cl)cc1)C(O)=O |r|
Show InChI InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
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PC cid
PC sid
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UniChem

Similars

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PDB
Article
PubMed
n/an/a 53.3n/an/an/an/an/an/a



Institute for Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged human Eg5 microtubule-stimulated ATPase activity


J Med Chem 54: 1576-86 (2011)


Article DOI: 10.1021/jm100991m
BindingDB Entry DOI: 10.7270/Q2154HC9
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