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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Kinesin-like protein KIF20B' and Ligand = 'BDBM50056904'   
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 KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
n/an/a 4.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Es...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 5.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of microtubule-stimulated ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in E...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.90E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (57 to 491 residues) expressed in Escherichia coli B...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair
Kinesin-like protein KIF20B


(Homo sapiens (Human))
BDBM50056904
PNG
(3,8-Dihydroxy-11-oxo-1-(2-oxo-heptyl)-6-pentyl-11H...)
Show SMILES CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
Show InChI InChI=1S/C26H30O8/c1-3-5-7-9-16(27)11-15-12-17(28)13-20-22(15)26(32)34-21-14-19(29)23(25(30)31)18(24(21)33-20)10-8-6-4-2/h12-14,28-29H,3-11H2,1-2H3,(H,30,31)
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of basal ATPase activity of N-terminal His6-tagged/SUMO-fused human MPP1 motor domain (2 to 477 residues) expressed in Escherichia coli BL...


J Nat Prod 79: 1576-85 (2016)


Article DOI: 10.1021/acs.jnatprod.5b00962
BindingDB Entry DOI: 10.7270/Q2D50PXF
More data for this
Ligand-Target Pair