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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 395.3
BDBM50383087

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 1


(Homo sapiens)
BDBM50383087
PNG
(CHEMBL2031572)
Show SMILES Cc1ccc(cc1C)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2N5O2/c1-9-3-5-12(7-10(9)2)27-19-16(25-20(27)29)15(17(23)28)24-18(26-19)13-6-4-11(21)8-14(13)22/h3-8H,1-2H3,(H2,23,28)(H,25,29)
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PC sid
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Article
PubMed
n/an/a 4.15E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of Eg5 ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay


J Med Chem 55: 2561-73 (2012)


Article DOI: 10.1021/jm201290v
BindingDB Entry DOI: 10.7270/Q2M909P0
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5C


(Homo sapiens)
BDBM50383087
PNG
(CHEMBL2031572)
Show SMILES Cc1ccc(cc1C)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2N5O2/c1-9-3-5-12(7-10(9)2)27-19-16(25-20(27)29)15(17(23)28)24-18(26-19)13-6-4-11(21)8-14(13)22/h3-8H,1-2H3,(H2,23,28)(H,25,29)
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Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human Kif5C ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay


J Med Chem 55: 2561-73 (2012)


Article DOI: 10.1021/jm201290v
BindingDB Entry DOI: 10.7270/Q2M909P0
More data for this
Ligand-Target Pair
Kinesin heavy chain isoform 5A


(Homo sapiens)
BDBM50383087
PNG
(CHEMBL2031572)
Show SMILES Cc1ccc(cc1C)-n1c2nc(nc(C(N)=O)c2[nH]c1=O)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H15F2N5O2/c1-9-3-5-12(7-10(9)2)27-19-16(25-20(27)29)15(17(23)28)24-18(26-19)13-6-4-11(21)8-14(13)22/h3-8H,1-2H3,(H2,23,28)(H,25,29)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+4n/an/an/an/an/an/a



Korea Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of human Kif5A ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay


J Med Chem 55: 2561-73 (2012)


Article DOI: 10.1021/jm201290v
BindingDB Entry DOI: 10.7270/Q2M909P0
More data for this
Ligand-Target Pair