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PDB code 1YRS

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))
BDBM24066
PNG
(1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3
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PC cid
PC sid
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PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of KSP


Bioorg Med Chem Lett 17: 722-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.083
BindingDB Entry DOI: 10.7270/Q2HT2Q4S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-like protein KIF11

  (368/368 = 100%)
(Homo sapiens (Human))
BDBM24066
PNG
(1-[(5S)-3-(2-chlorophenyl)-5-(3-hydroxyphenyl)-4,5...)
Show SMILES CC(=O)N1N=C(CC1c1cccc(O)c1)c1ccccc1Cl |c:4|
Show InChI InChI=1S/C17H15ClN2O2/c1-11(21)20-17(12-5-4-6-13(22)9-12)10-16(19-20)14-7-2-3-8-15(14)18/h2-9,17,22H,10H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

PDB
Article
PubMed
n/an/a 450n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration towards kinesin spindle protein activity of ATP hydrolysis in the presence of microtubules measured by ATPase assay...


Bioorg Med Chem Lett 15: 2041-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.055
BindingDB Entry DOI: 10.7270/Q2ST7PCW
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