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20 similar compounds to monomer 50353600

Compile data set for download or QSAR
Wt: 694.7
BDBM50169021
Wt: 574.6
BDBM50169030
Wt: 776.8
BDBM50221841
Wt: 652.6
BDBM50221842
Wt: 590.6
BDBM50221848
Wt: 652.6
BDBM50221851
Wt: 756.7
BDBM50221855
Wt: 818.8
BDBM50221863
Wt: 536.6
BDBM50221865
Wt: 714.7
BDBM50221824
Wt: 714.7
BDBM50221825
Wt: 672.7
BDBM50221828
Wt: 618.7
BDBM50221871
Wt: 714.7
BDBM50221872
Wt: 636.6
BDBM50221873
Displayed 1 to 15 (of 20 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50169021,50169030,50221841,50221842,50221848,50221851,50221855,50221863,50221865,50221824,50221825,50221828,50221871,50221872,50221873   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221873
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-6-[...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C35H40O11/c1-20-17-27(44-31(39)24-13-9-7-10-14-24)30(43-23(4)38)34(19-41-21(2)36)28(45-32(40)25-15-11-8-12-16-25)18-26-29(42-22(3)37)35(20,34)46-33(26,5)6/h7-16,20,26-30H,17-19H2,1-6H3/t20-,26-,27+,28+,29-,30+,34-,35-/m1/s1
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630n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221872
PNG
((1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4-bis(acetyloxy)-7,...)
Show SMILES CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@](C)(O)[C@@]23C[C@@H]([C@H](OC(=O)c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3
Show InChI InChI=1S/C40H42O12/c1-23(41)47-30-32(51-36(45)27-20-14-9-15-21-27)38(5)31(50-35(44)26-18-12-8-13-19-26)29(49-34(43)25-16-10-7-11-17-25)28-22-40(38,52-37(28,3)4)39(6,46)33(30)48-24(2)42/h7-21,28-33,46H,22H2,1-6H3/t28?,29-,30-,31-,32-,33-,38+,39+,40+/m0/s1
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730n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221825
PNG
((1S,2R,4S,5R,6S,7R,8S,9R,12R)-4,12-bis(acetyloxy)-...)
Show SMILES CC(=O)O[C@@H]1[C@H]2[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1S/C40H42O12/c1-23(41)47-28-22-38(5,46)40-32(48-24(2)42)29(37(3,4)52-40)30(49-34(43)25-16-10-7-11-17-25)33(51-36(45)27-20-14-9-15-21-27)39(40,6)31(28)50-35(44)26-18-12-8-13-19-26/h7-21,28-33,46H,22H2,1-6H3/t28-,29+,30-,31-,32+,33-,38+,39-,40-/m0/s1
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910n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221828
PNG
((1S,2R,4S,5R,6R,7R,8S,9R,12R)-12-(acetyloxy)-4,5-b...)
Show SMILES CC(=O)O[C@@H]1[C@H]2[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](OC(=O)c4ccccc4)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C38H40O11/c1-22(39)45-30-27-28(40)31(48-34(43)25-19-13-8-14-20-25)37(5)29(47-33(42)24-17-11-7-12-18-24)26(46-32(41)23-15-9-6-10-16-23)21-36(4,44)38(30,37)49-35(27,2)3/h6-20,26-31,40,44H,21H2,1-5H3/t26-,27+,28-,29-,30+,31-,36+,37-,38-/m0/s1
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1.21E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221824
PNG
((1S,2R,5S,6S,7S,8R,9R,12R)-12-(acetyloxy)-6-[(acet...)
Show SMILES CC(=O)OC[C@@]12[C@H](CC[C@@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1OC(C)=O)[C@@H](OC(=O)c1ccccc1)[C@H]2OC(=O)c1ccccc1)OC(=O)c1ccccc1
Show InChI InChI=1S/C40H42O12/c1-24(41)47-23-39-29(49-34(43)26-15-9-6-10-16-26)21-22-38(5,46)40(39)32(48-25(2)42)30(37(3,4)52-40)31(50-35(44)27-17-11-7-12-18-27)33(39)51-36(45)28-19-13-8-14-20-28/h6-20,29-33,46H,21-23H2,1-5H3/t29-,30+,31+,32+,33+,38+,39-,40-/m0/s1
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1.22E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221851
PNG
((1R,2R,3S,4S,5R,6R,7R,8S,9S)-3,4,8-tris(acetyloxy)...)
Show SMILES CC(=O)O[C@H]1[C@@H]2C[C@]3(OC2(C)C)[C@](C)(O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@@]3(C)[C@H]1OC(=O)c1ccccc1
Show InChI InChI=1S/C35H40O12/c1-19(36)42-25-24-18-35(47-32(24,4)5)33(6,27(25)45-30(39)22-14-10-8-11-15-22)28(46-31(40)23-16-12-9-13-17-23)26(43-20(2)37)29(34(35,7)41)44-21(3)38/h8-17,24-29,41H,18H2,1-7H3/t24?,25-,26-,27-,28-,29-,33+,34+,35+/m0/s1
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1.27E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221841
PNG
((1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-(acetyloxy)-4,5,8...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@]2(CO)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
Show InChI InChI=1S/C45H44O12/c1-27-25-33(53-39(48)29-17-9-5-10-18-29)36(55-41(50)31-21-13-7-14-22-31)44(26-46)38(56-42(51)32-23-15-8-16-24-32)35(54-40(49)30-19-11-6-12-20-30)34-37(52-28(2)47)45(27,44)57-43(34,3)4/h5-24,27,33-38,46H,25-26H2,1-4H3/t27-,33+,34-,35-,36+,37-,38-,44+,45-/m1/s1
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1.30E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221842
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-4,5-bis(acetyloxy)-6-[(...)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Show InChI InChI=1S/C35H40O12/c1-20(36)42-19-34-27(45-30(39)23-13-9-7-10-14-23)17-25-28(46-31(40)24-15-11-8-12-16-24)35(34,47-32(25,4)5)33(6,41)18-26(43-21(2)37)29(34)44-22(3)38/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33-,34-,35+/m1/s1
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1.50E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50169021
PNG
(2,10,10-trimethyl-4,5,12-tri(methylcarbonyloxy)-6-...)
Show SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
Show InChI InChI=1S/C37H42O13/c1-20-18-27(45-22(3)39)30(46-23(4)40)36(19-44-21(2)38)32(49-34(43)26-16-12-9-13-17-26)29(48-33(42)25-14-10-8-11-15-25)28-31(47-24(5)41)37(20,36)50-35(28,6)7/h8-17,20,27-32H,18-19H2,1-7H3/t20-,27+,28-,29+,30+,31-,32+,36+,37-/m1/s1
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1.71E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221871
PNG
(CHEMBL437009 | benzoic acid (1S,2R,5S,6S,7S,8R,9R,...)
Show SMILES CCCCCO[C@@H]1[C@@H]2[C@@H](OC(C)=O)[C@]3(OC2(C)C)[C@](C)(O)CC[C@H](OC(C)=O)[C@@]3(COC(C)=O)[C@@H]1OC(=O)c1ccccc1
Show InChI InChI=1S/C33H46O11/c1-8-9-13-18-39-26-25-27(42-22(4)36)33(44-30(25,5)6)31(7,38)17-16-24(41-21(3)35)32(33,19-40-20(2)34)28(26)43-29(37)23-14-11-10-12-15-23/h10-12,14-15,24-28,38H,8-9,13,16-19H2,1-7H3/t24-,25+,26+,27+,28+,31+,32-,33-/m0/s1
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1.83E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221863
PNG
((1S,2R,4S,5R,6S,7S,8R,9R,12R)-12-(acetyloxy)-6-[(a...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@]2(COC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
Show InChI InChI=1S/C47H46O13/c1-28-26-35(56-41(50)31-18-10-6-11-19-31)38(58-43(52)33-22-14-8-15-23-33)46(27-54-29(2)48)40(59-44(53)34-24-16-9-17-25-34)37(57-42(51)32-20-12-7-13-21-32)36-39(55-30(3)49)47(28,46)60-45(36,4)5/h6-25,28,35-40H,26-27H2,1-5H3/t28-,35+,36-,37-,38+,39-,40-,46+,47-/m1/s1
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1.98E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50169030
PNG
(CHEMBL364252 | benzoic acid (1S,2R,4S,5R,6R,7S,9R,...)
Show SMILES C[C@@H]1C[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C30H38O11/c1-16-13-23(37-18(3)32)26(39-20(5)34)29(15-36-17(2)31)24(40-27(35)21-11-9-8-10-12-21)14-22-25(38-19(4)33)30(16,29)41-28(22,6)7/h8-12,16,22-26H,13-15H2,1-7H3/t16-,22-,23+,24+,25-,26+,29-,30-/m1/s1
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2.36E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221848
PNG
(CHEMBL412851 | benzoic acid (1S,2R,4S,5R,6R,7S,9R,...)
Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(C)=O)[C@]1(OC3(C)C)[C@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1
Show InChI InChI=1S/C30H38O12/c1-16(31)37-15-29-23(41-26(35)20-11-9-8-10-12-20)13-21-24(39-18(3)33)30(29,42-27(21,5)6)28(7,36)14-22(38-17(2)32)25(29)40-19(4)34/h8-12,21-25,36H,13-15H2,1-7H3/t21-,22+,23+,24-,25+,28-,29-,30+/m1/s1
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4.39E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221865
PNG
((1R,2R,4R,5R,6R,7S,9R)-4-(acetyloxy)-7-(benzoyloxy...)
Show SMILES CC(=O)O[C@@H]1C[C@@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)C(C)(C)O3
Show InChI InChI=1S/C31H36O8/c1-19(32)36-23-18-29(4,35)31-17-22(28(2,3)39-31)16-24(37-26(33)20-12-8-6-9-13-20)30(31,5)25(23)38-27(34)21-14-10-7-11-15-21/h6-15,22-25,35H,16-18H2,1-5H3/t22?,23-,24+,25+,29-,30-,31+/m1/s1
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7.59E+3n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair
P-glycoprotein 1


(Homo sapiens (Human))
BDBM50221855
PNG
((1S,2R,4S,5R,6S,7S,8R,9R,12R)-5,12-bis(acetyloxy)-...)
Show SMILES C[C@@H]1C[C@H](OC(=O)c2ccccc2)[C@H](OC(C)=O)[C@@]2(COC(C)=O)[C@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@@H]3[C@@H](OC(C)=O)[C@]12OC3(C)C
Show InChI InChI=1S/C42H44O13/c1-24-22-31(52-37(46)28-16-10-7-11-17-28)34(50-26(3)44)41(23-49-25(2)43)36(54-39(48)30-20-14-9-15-21-30)33(53-38(47)29-18-12-8-13-19-29)32-35(51-27(4)45)42(24,41)55-40(32,5)6/h7-21,24,31-36H,22-23H2,1-6H3/t24-,31+,32-,33-,34+,35-,36-,41+,42-/m1/s1
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Article
PubMed
3.39E+4n/an/an/an/an/an/an/an/a



Instituto Universitario de Bio-OrgAnica Antonio GonzAlez

Curated by ChEMBL


Assay Description
Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay


J Med Chem 50: 4808-17 (2007)


Article DOI: 10.1021/jm070290v
BindingDB Entry DOI: 10.7270/Q2K35TCP
More data for this
Ligand-Target Pair