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PubMed code 28189906

Compile data set for download or QSAR
Found 25 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
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235446
PNG
(CHEMBL4081538)
Show SMILES [H][C@]12C\C(=N/O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C21H27N3O3/c1-4-12-11-24(2)18-10-15-13-7-5-6-8-16(13)22-20(15)17(23-26)9-14(12)19(18)21(25)27-3/h5-8,12,14,18-19,22,26H,4,9-11H2,1-3H3/b23-17+/t12-,14+,18-,19-/m0/s1
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n/an/a 1.67E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235424
PNG
(CHEMBL3605260)
Show SMILES [H][C@@]12C\C(=N/Nc3ccccc3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@H]1CC)[C@@]2([H])C(=O)OC |r|
Show InChI InChI=1S/C27H32N4O2/c1-4-17-16-31(2)24-15-21-19-12-8-9-13-22(19)28-26(21)23(14-20(17)25(24)27(32)33-3)30-29-18-10-6-5-7-11-18/h5-13,17,20,24-25,28-29H,4,14-16H2,1-3H3/b30-23+/t17-,20-,24+,25+/m1/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235445
PNG
(CHEMBL3605262)
Show SMILES [H][C@@]12C\C(=N/Nc3ccc(Br)cn3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@H]1CC)[C@@]2([H])C(=O)OC |r|
Show InChI InChI=1S/C26H30BrN5O2/c1-4-15-14-32(2)22-12-19-17-7-5-6-8-20(17)29-25(19)21(11-18(15)24(22)26(33)34-3)30-31-23-10-9-16(27)13-28-23/h5-10,13,15,18,22,24,29H,4,11-12,14H2,1-3H3,(H,28,31)/b30-21+/t15-,18-,22+,24+/m1/s1
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n/an/a 3.76E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235438
PNG
(CHEMBL4060246)
Show SMILES [H][C@]12CC(=O)c3c(C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC)c1ccccc1n3Cc1ccccc1 |r|
Show InChI InChI=1S/C28H32N2O3/c1-4-19-17-29(2)24-14-22-20-12-8-9-13-23(20)30(16-18-10-6-5-7-11-18)27(22)25(31)15-21(19)26(24)28(32)33-3/h5-13,19,21,24,26H,4,14-17H2,1-3H3/t19-,21+,24-,26-/m0/s1
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n/an/a 3.81E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235444
PNG
(CHEMBL3605261)
Show SMILES [H][C@@]12C\C(=N/Nc3ccc(Br)cn3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@@H]1CC)[C@@]2([H])C(=O)OC |r|
Show InChI InChI=1S/C26H30BrN5O2/c1-4-15-14-32(2)22-12-19-17-7-5-6-8-20(17)29-25(19)21(11-18(15)24(22)26(33)34-3)30-31-23-10-9-16(27)13-28-23/h5-10,13,15,18,22,24,29H,4,11-12,14H2,1-3H3,(H,28,31)/b30-21+/t15-,18+,22-,24-/m0/s1
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n/an/a 3.99E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235431
PNG
(CHEMBL4101435)
Show SMILES [H][C@]12C\C(=N/NC(=S)NCc3cccnc3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C28H34N6O2S/c1-4-18-16-34(2)24-13-21-19-9-5-6-10-22(19)31-26(21)23(12-20(18)25(24)27(35)36-3)32-33-28(37)30-15-17-8-7-11-29-14-17/h5-11,14,18,20,24-25,31H,4,12-13,15-16H2,1-3H3,(H2,30,33,37)/b32-23+/t18-,20+,24-,25-/m0/s1
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n/an/a 4.52E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235442
PNG
(CHEMBL4076299)
Show SMILES [H][C@]12C\C(=N/N)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C21H28N4O2/c1-4-12-11-25(2)18-10-15-13-7-5-6-8-16(13)23-20(15)17(24-22)9-14(12)19(18)21(26)27-3/h5-8,12,14,18-19,23H,4,9-11,22H2,1-3H3/b24-17+/t12-,14-,18+,19+/m1/s1
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n/an/a 4.87E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235430
PNG
(CHEMBL4074751)
Show SMILES [H][C@]12C\C(=N/NC(=O)OCc3ccc(OC)cc3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C30H36N4O5/c1-5-19-16-34(2)26-15-23-21-8-6-7-9-24(21)31-28(23)25(14-22(19)27(26)29(35)38-4)32-33-30(36)39-17-18-10-12-20(37-3)13-11-18/h6-13,19,22,26-27,31H,5,14-17H2,1-4H3,(H,33,36)/b32-25+/t19-,22+,26-,27-/m0/s1
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n/an/a 5.23E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235449
PNG
(CHEMBL3605259)
Show SMILES [H][C@@]12C\C(=N/Nc3ccccc3)c3[nH]c4ccccc4c3C[C@]([H])(N(C)C[C@@H]1CC)[C@@]2([H])C(=O)OC |r|
Show InChI InChI=1S/C27H32N4O2/c1-4-17-16-31(2)24-15-21-19-12-8-9-13-22(19)28-26(21)23(14-20(17)25(24)27(32)33-3)30-29-18-10-6-5-7-11-18/h5-13,17,20,24-25,28-29H,4,14-16H2,1-3H3/b30-23+/t17-,20+,24-,25-/m0/s1
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n/an/a 5.27E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235440
PNG
(CHEMBL4074765)
Show SMILES [H][C@]12C\C(=N/N)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C21H28N4O2/c1-4-12-11-25(2)18-10-15-13-7-5-6-8-16(13)23-20(15)17(24-22)9-14(12)19(18)21(26)27-3/h5-8,12,14,18-19,23H,4,9-11,22H2,1-3H3/b24-17+/t12-,14+,18-,19-/m0/s1
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n/an/a 7.34E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235432
PNG
(CHEMBL4083129)
Show SMILES [H][C@]12CC(=S)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C21H26N2O2S/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(26)10-14(12)19(17)21(24)25-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17-,19-/m0/s1
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n/an/a 7.79E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235434
PNG
(CHEMBL4090917)
Show SMILES [H][C@]12C[C@H](O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C21H28N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17-19,22,24H,4,9-11H2,1-3H3/t12-,14-,17+,18+,19+/m1/s1
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n/an/a 8.39E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235425
PNG
(CHEMBL4062327)
Show SMILES [H][C@]12C\C(=N/Nc3cnccn3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C25H30N6O2/c1-4-15-14-31(2)21-12-18-16-7-5-6-8-19(16)28-24(18)20(11-17(15)23(21)25(32)33-3)29-30-22-13-26-9-10-27-22/h5-10,13,15,17,21,23,28H,4,11-12,14H2,1-3H3,(H,27,30)/b29-20+/t15-,17+,21-,23-/m0/s1
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n/an/a 8.48E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity (competitive) against alpha-L-fucosidase from bovine kidney

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235447
PNG
(CHEMBL4059582)
Show SMILES [H][C@]12C\C(=N/O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C21H27N3O3/c1-4-12-11-24(2)18-10-15-13-7-5-6-8-16(13)22-20(15)17(23-26)9-14(12)19(18)21(25)27-3/h5-8,12,14,18-19,22,26H,4,9-11H2,1-3H3/b23-17+/t12-,14-,18+,19+/m1/s1
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n/an/a 8.54E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of binding of [125I]-PD 142308 to CCK-B receptor was determined

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235437
PNG
(CHEMBL4071619)
Show SMILES [H][C@]12CC(=O)c3c(C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC)c1ccccc1n3C |r|
Show InChI InChI=1S/C22H28N2O3/c1-5-13-12-23(2)18-10-16-14-8-6-7-9-17(14)24(3)21(16)19(25)11-15(13)20(18)22(26)27-4/h6-9,13,15,18,20H,5,10-12H2,1-4H3/t13-,15+,18-,20-/m0/s1
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n/an/a 8.92E+4n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235428
PNG
(CHEMBL4090331)
Show SMILES [H][C@]12C\C(=N/Nc3cnccn3)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C25H30N6O2/c1-4-15-14-31(2)21-12-18-16-7-5-6-8-19(16)28-24(18)20(11-17(15)23(21)25(32)33-3)29-30-22-13-26-9-10-27-22/h5-10,13,15,17,21,23,28H,4,11-12,14H2,1-3H3,(H,27,30)/b29-20+/t15-,17-,21+,23+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235427
PNG
(CHEMBL4075029)
Show SMILES [H][C@]12CC(=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14-,17+,19+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235436
PNG
(CHEMBL4098642)
Show SMILES [H][C@]12C[C@H](OC(=O)C34CC5CC(CC(C5)C3)C4)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r,TLB:5:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13|
Show InChI InChI=1S/C32H42N2O4/c1-4-21-17-34(2)26-12-24-22-7-5-6-8-25(22)33-29(24)27(13-23(21)28(26)30(35)37-3)38-31(36)32-14-18-9-19(15-32)11-20(10-18)16-32/h5-8,18-21,23,26-28,33H,4,9-17H2,1-3H3/t18?,19?,20?,21-,23-,26+,27+,28+,32?/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235443
PNG
(CHEMBL4094301)
Show SMILES [H][C@]12CC(=O)c3c(C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC)c1ccccc1n3C(=O)c1cccc(C)c1 |r|
Show InChI InChI=1S/C29H32N2O4/c1-5-18-16-30(3)24-14-22-20-11-6-7-12-23(20)31(28(33)19-10-8-9-17(2)13-19)27(22)25(32)15-21(18)26(24)29(34)35-4/h6-13,18,21,24,26H,5,14-16H2,1-4H3/t18-,21+,24-,26-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235435
PNG
(CHEMBL4062990)
Show SMILES [H][C@]12C[C@H](OC(=O)\C=C\C)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C25H32N2O4/c1-5-9-22(28)31-21-13-17-15(6-2)14-27(3)20(23(17)25(29)30-4)12-18-16-10-7-8-11-19(16)26-24(18)21/h5,7-11,15,17,20-21,23,26H,6,12-14H2,1-4H3/b9-5+/t15-,17+,20-,21-,23-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235433
PNG
(CHEMBL4101113)
Show SMILES [H][C@]12C[C@H](O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C21H28N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17-19,22,24H,4,9-11H2,1-3H3/t12-,14+,17-,18-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235429
PNG
(CHEMBL4098041)
Show SMILES [H][C@]12C\C(=N/NC(N)=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@H]2CC |r|
Show InChI InChI=1S/C22H29N5O3/c1-4-12-11-27(2)18-10-15-13-7-5-6-8-16(13)24-20(15)17(25-26-22(23)29)9-14(12)19(18)21(28)30-3/h5-8,12,14,18-19,24H,4,9-11H2,1-3H3,(H3,23,26,29)/b25-17+/t12-,14-,18+,19+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235439
PNG
(CHEMBL4082147)
Show SMILES [H][C@]12CC(=O)c3c(C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC)c1ccccc1n3CCN(CC)CC |r|
Show InChI InChI=1S/C27H39N3O3/c1-6-18-17-28(4)23-15-21-19-11-9-10-12-22(19)30(14-13-29(7-2)8-3)26(21)24(31)16-20(18)25(23)27(32)33-5/h9-12,18,20,23,25H,6-8,13-17H2,1-5H3/t18-,20+,23-,25-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235448
PNG
(CHEMBL4070955)
Show SMILES [H][C@]12C\C(=N/NC(N)=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C22H29N5O3/c1-4-12-11-27(2)18-10-15-13-7-5-6-8-16(13)24-20(15)17(25-26-22(23)29)9-14(12)19(18)21(28)30-3/h5-8,12,14,18-19,24H,4,9-11H2,1-3H3,(H3,23,26,29)/b25-17+/t12-,14+,18-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50235426
PNG
(CHEMBL3358048)
Show SMILES [H][C@]12CC(=O)c3[nH]c4ccccc4c3C[C@@]([H])([C@H]1C(=O)OC)N(C)C[C@@H]2CC |r|
Show InChI InChI=1S/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3/t12-,14+,17-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade de Lisboa

Curated by ChEMBL


Assay Description
Inhibition of human ABCB1 expressed in mouse L5178Y cells assessed as reduction in cell growth after 24 hrs by MTT assay

Eur J Med Chem 128: 247-257 (2017)


Article DOI: 10.1016/j.ejmech.2017.01.044
BindingDB Entry DOI: 10.7270/Q2BV7JVT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%