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Compile Data Set for Download or QSAR

Found 15 hits of ic50 for monomerid = 50317426   
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
Cytochrome P450 2C8


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C8 in human liver microsomes using amodiaquin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP2C9 expressed in baculosomes using Vivid OOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2B6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2B6 in human liver microsomes using bupropion as substrate preincubated for 10 mins followed by NADPH addition measured after 20 min...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using (S)-mephenytoin as substrate preincubated for 10 mins followed by NADPH addition measured after...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.10E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone as substrate preincubated for 10 mins followed by NADPH addition measured after 10 ...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMCC substrate blue measured every 30 sec for 30 mins by fluorescence as...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using diclofenac as substrate preincubated for 10 mins followed by NADPH addition measured after 7 min...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.05E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid BOMR substrate red measured every 30 sec for 30 mins by fluorescence assa...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.16E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CYP3A4 expressed in baculosomes using Vivid DBOMF substrate green measured every 30 sec for 30 mins by fluorescence a...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 1.25E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 2.73E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin as substrate preincubated for 10 mins followed by NADPH addition measured after 10 mi...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 4.27E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Binding affinity towards human Melanocortin 1 receptor (hMC1R)


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2A6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 5.90E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2A6 in human liver microsomes using Coumarin as substrate preincubated for 10 mins followed by NADPH addition measured after 15 mins


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 7.45E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using dextromethorphan as substrate preincubated for 10 mins followed by NADPH addition measured after...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair
Cytochrome P450 2E1


(Homo sapiens (Human))
BDBM50317426
PNG
(8-Gingerol | CHEMBL1095671)
Show SMILES CCCCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1 |r|
Show InChI InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3/t16-/m0/s1
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n/an/a 9.32E+4n/an/an/an/an/an/a



Hanyang University

Curated by ChEMBL


Assay Description
Inhibition of CYP2E1 in human liver microsomes using chlorzoxazone as substrate preincubated for 10 mins followed by NADPH addition measured after 20...


Bioorg Med Chem Lett 27: 1826-1830 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.047
BindingDB Entry DOI: 10.7270/Q2VD71Q0
More data for this
Ligand-Target Pair