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27 similar compounds to monomer 50221858

Compile data set for download or QSAR
Wt: 662.8
BDBM50221831
Wt: 532.5
BDBM50221832
Wt: 574.6
BDBM50221833
Wt: 660.7
BDBM50221834
Wt: 684.6
BDBM50221836
Wt: 634.6
BDBM50221840
Wt: 636.6
BDBM50221846
Wt: 626.6
BDBM50221847
Wt: 516.5
BDBM50221850
Wt: 724.8
BDBM50221852
Wt: 696.7
BDBM50221843
Wt: 564.6
BDBM50221856
Wt: 612.7
BDBM50221857
Wt: 542.5
BDBM50221860
Wt: 574.5
BDBM50221861
Displayed 1 to 15 (of 27 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50221831,50221832,50221833,50221834,50221836,50221840,50221846,50221847,50221850,50221852,50221843,50221856,50221857,50221860,50221861   
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))
BDBM50221831
PNG
(CHEMBL394284 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(C)=O
Show InChI InChI=1S/C36H54O11/c1-8-9-10-11-12-13-14-15-16-19-29(39)46-30-25-21-28(45-32(40)26-18-17-20-42-26)35(7)31(44-24(3)38)27(43-23(2)37)22-34(6,41)36(30,35)47-33(25,4)5/h17-18,20,25,27-28,30-31,41H,8-16,19,21-22H2,1-7H3/t25-,27+,28+,30-,31+,34-,35-,36+/m1/s1
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800n/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))
BDBM50221856
PNG
(CHEMBL412860 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)C(C)(C)C
Show InChI InChI=1S/C29H40O11/c1-15(30)36-19-14-27(8,34)29-21(39-24(33)25(3,4)5)17(26(6,7)40-29)13-20(28(29,9)22(19)37-16(2)31)38-23(32)18-11-10-12-35-18/h10-12,17,19-22,34H,13-14H2,1-9H3/t17-,19+,20+,21-,22+,27-,28-,29+/m1/s1
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960n/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))
BDBM50221857
PNG
(CHEMBL395650 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCO[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C34H44O10/c1-7-8-12-17-40-27-23-19-26(43-30(37)24-16-13-18-39-24)33(6)28(41-21(2)35)25(42-29(36)22-14-10-9-11-15-22)20-32(5,38)34(27,33)44-31(23,3)4/h9-11,13-16,18,23,25-28,38H,7-8,12,17,19-20H2,1-6H3/t23-,25+,26+,27-,28+,32-,33-,34+/m1/s1
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1.00E+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))
BDBM50221833
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-12-[(fura...)
Show SMILES CCCO[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1ccco1
Show InChI InChI=1S/C30H38O11/c1-7-12-35-21-16-28(5,34)30-23(40-26(33)20-11-9-14-37-20)18(27(3,4)41-30)15-22(29(30,6)24(21)38-17(2)31)39-25(32)19-10-8-13-36-19/h8-11,13-14,18,21-24,34H,7,12,15-16H2,1-6H3/t18-,21+,22+,23-,24+,28-,29-,30+/m1/s1
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1.13E+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))
BDBM50221840
PNG
(CHEMBL394410 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C35H38O11/c1-19(36)42-26-18-33(5,40)35-28(45-30(38)23-14-9-12-21-11-7-8-13-22(21)23)24(32(3,4)46-35)17-27(34(35,6)29(26)43-20(2)37)44-31(39)25-15-10-16-41-25/h7-16,24,26-29,40H,17-18H2,1-6H3/t24-,26+,27+,28-,29+,33-,34-,35+/m1/s1
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1.65E+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))
BDBM50221834
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acet...)
Show SMILES CCCCCO[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)c1ccco1
Show InChI InChI=1S/C34H44O13/c1-7-8-9-14-42-28-25(45-29(37)23-12-10-15-40-23)18-32(6,39)34-27(44-21(3)36)22(31(4,5)47-34)17-26(33(28,34)19-43-20(2)35)46-30(38)24-13-11-16-41-24/h10-13,15-16,22,25-28,39H,7-9,14,17-19H2,1-6H3/t22-,25+,26+,27-,28+,32-,33-,34+/m1/s1
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1.94E+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))
BDBM50221847
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-4,12-bis[...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1)OC(=O)c1ccco1
Show InChI InChI=1S/C32H34O13/c1-17(33)41-25-22(42-26(34)19-9-6-12-38-19)16-30(4,37)32-24(44-28(36)21-11-8-14-40-21)18(29(2,3)45-32)15-23(31(25,32)5)43-27(35)20-10-7-13-39-20/h6-14,18,22-25,37H,15-16H2,1-5H3/t18-,22+,23+,24-,25+,30-,31-,32+/m1/s1
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2.19E+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))
BDBM50221860
PNG
(CHEMBL233280 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3O)OC(=O)c1ccccc1
Show InChI InChI=1S/C29H34O10/c1-16(30)36-23-20(37-24(32)17-10-7-6-8-11-17)15-27(4,34)29-22(31)18(26(2,3)39-29)14-21(28(23,29)5)38-25(33)19-12-9-13-35-19/h6-13,18,20-23,31,34H,14-15H2,1-5H3/t18-,20+,21+,22-,23+,27-,28-,29+/m1/s1
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2.50E+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))
BDBM50221846
PNG
(2-alpha-acetoxy-1-alpha-benzoyloxy-6-beta,9-beta-d...)
Show SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(=O)c1ccccc1)[C@H]3OC(=O)c1ccco1
Show InChI InChI=1S/C34H36O12/c1-19(35)42-24-18-32(4,39)34-26(44-30(38)23-14-10-16-41-23)21(31(2,3)46-34)17-25(43-29(37)22-13-9-15-40-22)33(34,5)27(24)45-28(36)20-11-7-6-8-12-20/h6-16,21,24-27,39H,17-18H2,1-5H3/t21-,24+,25+,26-,27+,32-,33-,34+/m1/s1
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3.45E+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))
BDBM50221861
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5,12-bis(acetyloxy)-4-[...)
Show SMILES CC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccco1
Show InChI InChI=1S/C29H34O12/c1-15(30)37-22-17-13-21(40-25(33)19-10-8-12-36-19)28(6)23(38-16(2)31)20(39-24(32)18-9-7-11-35-18)14-27(5,34)29(22,28)41-26(17,3)4/h7-12,17,20-23,34H,13-14H2,1-6H3/t17-,20+,21+,22-,23+,27-,28-,29+/m1/s1
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4.13E+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))
BDBM50221832
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-5-(acetyloxy)-12-[(fura...)
Show SMILES CC(=O)O[C@H]1[C@@H](O)C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1
Show InChI InChI=1S/C27H32O11/c1-14(28)35-21-16(29)13-25(4,32)27-20(37-23(31)18-9-7-11-34-18)15(24(2,3)38-27)12-19(26(21,27)5)36-22(30)17-8-6-10-33-17/h6-11,15-16,19-21,29,32H,12-13H2,1-5H3/t15-,16+,19+,20-,21+,25-,26-,27+/m1/s1
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4.16E+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))
BDBM50221836
PNG
((1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acet...)
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(=O)c1ccco1)[C@@H]2OC(=O)c1ccco1)OC(=O)c1ccco1
Show InChI InChI=1S/C34H36O15/c1-18(35)44-17-33-25(47-29(38)22-10-7-13-42-22)15-20-26(45-19(2)36)34(33,49-31(20,3)4)32(5,40)16-24(46-28(37)21-9-6-12-41-21)27(33)48-30(39)23-11-8-14-43-23/h6-14,20,24-27,40H,15-17H2,1-5H3/t20-,24+,25+,26-,27+,32-,33-,34+/m1/s1
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4.51E+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))
BDBM50221843
PNG
(CHEMBL234332 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1cccc2ccccc12)OC(=O)c1ccccc1
Show InChI InChI=1S/C40H40O11/c1-23(41)47-33-30(48-34(42)25-14-7-6-8-15-25)22-38(4,45)40-32(50-35(43)27-18-11-16-24-13-9-10-17-26(24)27)28(37(2,3)51-40)21-31(39(33,40)5)49-36(44)29-19-12-20-46-29/h6-20,28,30-33,45H,21-22H2,1-5H3/t28-,30+,31+,32-,33+,38-,39-,40+/m1/s1
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4.59E+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))
BDBM50221852
PNG
(CHEMBL449353 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1
Show InChI InChI=1S/C41H56O11/c1-7-8-9-10-11-12-13-14-18-23-33(43)51-34-29-25-32(50-37(45)30-22-19-24-47-30)40(6)35(48-27(2)42)31(49-36(44)28-20-16-15-17-21-28)26-39(5,46)41(34,40)52-38(29,3)4/h15-17,19-22,24,29,31-32,34-35,46H,7-14,18,23,25-26H2,1-6H3/t29-,31+,32+,34-,35+,39-,40-,41+/m1/s1
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5.16E+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))
BDBM50221850
PNG
((1S,2R,5S,6S,7S,9R,12R)-5-(acetyloxy)-12-[(furan-2...)
Show SMILES CC(=O)O[C@H]1CC[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)c1ccco1
Show InChI InChI=1S/C27H32O10/c1-15(28)34-19-10-11-25(4,31)27-21(36-23(30)18-9-7-13-33-18)16(24(2,3)37-27)14-20(26(19,27)5)35-22(29)17-8-6-12-32-17/h6-9,12-13,16,19-21,31H,10-11,14H2,1-5H3/t16-,19+,20+,21-,25-,26+,27+/m1/s1
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Article
PubMed
6.61E+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