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Compile Data Set for Download or QSAR

Found 10 hits with Last Name = 'fukai' and Initial = 'r'   
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


(Homo sapiens (Human))
BDBM50131856
PNG
(CHEMBL3633365)
Show SMILES N[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O |r|
Show InChI InChI=1S/C25H22F3NO2S/c26-25(27,28)19-13-11-18(12-14-19)24(32-15-22(29)23(30)31)20-7-3-1-5-16(20)9-10-17-6-2-4-8-21(17)24/h1-8,11-14,22H,9-10,15,29H2,(H,30,31)/t22-/m0/s1
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n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563618
PNG
(CHEMBL4754888)
Show SMILES NCCOCCOCCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
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n/an/a 42n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563616
PNG
(CHEMBL4755438)
Show SMILES CN(C)CCNC(=O)C(N)CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563615
PNG
(CHEMBL4791487)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCO
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n/an/a 80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563617
PNG
(CHEMBL4758507)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCCN1CCCCC1
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n/an/a 146n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563619
PNG
(CHEMBL4756522)
Show SMILES N[C@@H](CCC(=O)C[C@@H](CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(O)=O)C(O)=O |r|
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n/an/a 239n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Kinesin-like protein KIF11


(Homo sapiens (Human))
BDBM50563614
PNG
(CHEMBL4750317)
Show SMILES NC(CSC1(c2ccc(cc2)C(F)(F)F)c2ccccc2CCc2ccccc12)C(=O)NCc1ccccc1
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n/an/a 358n/an/an/an/an/an/a


TBA

Assay Description
Inhibition C-terminal His-tagged KSP motor domain(1 to 369 residues) (unknown origin) expressed in bacteria assessed as inhibition of microtubule-sti...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113288
BindingDB Entry DOI: 10.7270/Q2668HXW
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50324895
PNG
(2-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)-c1nnn[nH]1
Show InChI InChI=1S/C22H28N6/c1-6-28(19-10-7-15(14-23-19)20-24-26-27-25-20)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,24,25,26,27)
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n/an/an/an/a 205n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5139-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50032675
PNG
(4-[1-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaph...)
Show SMILES Cc1cc2c(cc1C(=C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
Show InChI InChI=1S/C24H28O2/c1-15-13-20-21(24(5,6)12-11-23(20,3)4)14-19(15)16(2)17-7-9-18(10-8-17)22(25)26/h7-10,13-14H,2,11-12H2,1,3-6H3,(H,25,26)
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n/an/an/an/a 19.8n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5139-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Retinoic acid receptor RXR-alpha


(Homo sapiens (Human))
BDBM50324896
PNG
(6-[N-Ethyl(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-...)
Show SMILES CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
Show InChI InChI=1S/C22H28N2O2/c1-6-24(19-10-7-15(14-23-19)20(25)26)16-8-9-17-18(13-16)22(4,5)12-11-21(17,2)3/h7-10,13-14H,6,11-12H2,1-5H3,(H,25,26)
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n/an/an/an/a 5.28n/an/an/an/a



Okayama University

Curated by ChEMBL


Assay Description
Agonist activity at RXRalpha by luciferase reporter gene assay


Bioorg Med Chem Lett 20: 5139-42 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.012
BindingDB Entry DOI: 10.7270/Q20G3KB3
More data for this
Ligand-Target Pair