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PubMed code 27262425

Compile data set for download or QSAR
Found 14 hits of 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
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178989
PNG
(CHEMBL3814102)
Show SMILES CC(C)(C)N(NC(=O)c1ccccc1-c1ccccc1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C24H23ClN2O2/c1-24(2,3)27(23(29)20-15-9-10-16-21(20)25)26-22(28)19-14-8-7-13-18(19)17-11-5-4-6-12-17/h4-16H,1-3H3,(H,26,28)
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n/an/a 1.25E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178987
PNG
(CHEMBL3814074)
Show SMILES CCCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C23H30N2O2/c1-7-8-18-9-11-19(12-10-18)21(26)24-25(23(4,5)6)22(27)20-14-16(2)13-17(3)15-20/h9-15H,7-8H2,1-6H3,(H,24,26)
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n/an/a 1.52E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178988
PNG
(CHEBI:38452 | TEBUFENOZIDE | Tebufenozide)
Show SMILES CCc1ccc(cc1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O2/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19/h8-14H,7H2,1-6H3,(H,23,25)
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n/an/a 2.15E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178986
PNG
(CHEMBL3813832)
Show SMILES CCOc1cccc(c1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C22H28N2O3/c1-7-27-19-10-8-9-17(14-19)20(25)23-24(22(4,5)6)21(26)18-12-15(2)11-16(3)13-18/h8-14H,7H2,1-6H3,(H,23,25)
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n/an/a 3.99E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178991
PNG
(CHEMBL3814875)
Show SMILES CC(C)(C)N(NC(=O)c1cccc(c1)C(F)(F)F)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C19H18ClF3N2O2/c1-18(2,3)25(17(27)14-9-4-5-10-15(14)20)24-16(26)12-7-6-8-13(11-12)19(21,22)23/h4-11H,1-3H3,(H,24,26)
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n/an/a 4.38E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50128305
PNG
(3-methoxy-2-methylbenzoic acid 2-(3,5-dimethylbenz...)
Show SMILES COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C
Show InChI InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
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PubMed
n/an/a 4.43E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178990
PNG
(CHEMBL2286425)
Show SMILES CC(C)(C)N(NC(=O)c1cccc(Cl)c1)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H18Cl2N2O2/c1-18(2,3)22(17(24)14-9-4-5-10-15(14)20)21-16(23)12-7-6-8-13(19)11-12/h4-11H,1-3H3,(H,21,23)
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n/an/a 4.57E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50179181
PNG
(CHEMBL3813799)
Show SMILES CC(C)(C)N(NC(=O)c1cc(Cl)ccc1Cl)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H17Cl3N2O2/c1-18(2,3)23(17(25)12-6-4-5-7-14(12)20)22-16(24)13-10-11(19)8-9-15(13)21/h4-10H,1-3H3,(H,22,24)
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n/an/a 4.67E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178984
PNG
(CHEMBL3814404)
Show SMILES Cc1cccc(c1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C21H26N2O2/c1-14-8-7-9-17(11-14)19(24)22-23(21(4,5)6)20(25)18-12-15(2)10-16(3)13-18/h7-13H,1-6H3,(H,22,24)
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n/an/a 4.82E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178985
PNG
(CHEMBL2286727)
Show SMILES COc1cccc(c1)C(=O)NN(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
Show InChI InChI=1S/C21H26N2O3/c1-14-10-15(2)12-17(11-14)20(25)23(21(3,4)5)22-19(24)16-8-7-9-18(13-16)26-6/h7-13H,1-6H3,(H,22,24)
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n/an/a 5.81E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178992
PNG
(CHEMBL3814906)
Show SMILES CC(C)(C)N(NC(=O)c1cccc(c1)[N+]([O-])=O)C(=O)c1ccccc1Cl
Show InChI InChI=1S/C18H18ClN3O4/c1-18(2,3)21(17(24)14-9-4-5-10-15(14)19)20-16(23)12-7-6-8-13(11-12)22(25)26/h4-11H,1-3H3,(H,20,23)
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n/an/a 6.44E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50179088
PNG
(CHEMBL2286725)
Show SMILES Cc1ccc(C)c(c1)C(=O)NN(C(=O)c1ccccc1Cl)C(C)(C)C
Show InChI InChI=1S/C20H23ClN2O2/c1-13-10-11-14(2)16(12-13)18(24)22-23(20(3,4)5)19(25)15-8-6-7-9-17(15)21/h6-12H,1-5H3,(H,22,24)
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n/an/a 7.36E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178983
PNG
(CHEMBL3814913)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(NC(=O)c1ccccc1C)C(C)(C)C
Show InChI InChI=1S/C21H26N2O2/c1-14-11-15(2)13-17(12-14)20(25)23(21(4,5)6)22-19(24)18-10-8-7-9-16(18)3/h7-13H,1-6H3,(H,22,24)
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n/an/a 7.99E+4n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50178982
PNG
(CHEMBL2228438)
Show SMILES Cc1cc(C)cc(c1)C(=O)N(NC(=O)c1ccccc1)C(C)(C)C
Show InChI InChI=1S/C20H24N2O2/c1-14-11-15(2)13-17(12-14)19(24)22(20(3,4)5)21-18(23)16-9-7-6-8-10-16/h6-13H,1-5H3,(H,21,23)
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n/an/a 1.00E+5n/an/an/an/an/an/a



Kyoto University

Curated by ChEMBL


Assay Description
Inhibition of human P-glycoprotein transfected in pig LLC-GA5-COL150 cells assessed as quinidine transport from apical to basolateral side preincubat...


Bioorg Med Chem 24: 3184-91 (2016)


Article DOI: 10.1016/j.bmc.2016.05.039
BindingDB Entry DOI: 10.7270/Q2611275
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%