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Compile Data Set for Download or QSAR

Found 2308 hits Enz. Inhib. hit(s) with Target = 'ATP-binding cassette sub-family G member 2'   
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
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32617
PNG
(Botryllamide A, 1 | US8470888, Botryllamide A)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
Show InChI InChI=1S/C19H17Br2NO4/c1-25-17(11-12-3-5-14(23)6-4-12)19(24)22-8-7-13-9-15(20)18(26-2)16(21)10-13/h3-11,23H,1-2H3,(H,22,24)/b8-7+,17-11-
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n/an/a 3.34E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32619
PNG
(Botryllamide B, 2)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(OC)c(Br)c1
Show InChI InChI=1S/C19H17Br2NO4/c1-25-17(11-12-3-5-14(23)6-4-12)19(24)22-8-7-13-9-15(20)18(26-2)16(21)10-13/h3-11,23H,1-2H3,(H,22,24)/b8-7+,17-11+
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n/an/a 1.12E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106216
PNG
(US9695174, 12A)
Show SMILES COc1cc2[nH]c3[C@H](CC(C)C)N4[C@H](Cc3c2cc1C)C(=O)N[C@@H](C)C4=O |r|
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US Patent
n/an/a>1.00E+4n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106207
PNG
(US9695174, 12)
Show SMILES COc1cc2[nH]c3[C@H](CC(C)C)N4[C@@H](Cc3c2cc1C)C(=O)N[C@@H](C)C4=O |r|
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n/an/a 1.98E+3n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106158
PNG
(US9695174, 8A)
Show SMILES COC(=O)[C@H]1Cc2c([nH]c3cc(OC)c(OC)cc23)[C@H](CC(C)C)N1C(=O)[C@H](C)NC(=O)OC(C)(C)C |r|
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n/an/a>1.00E+4n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106157
PNG
(US9695174, 8)
Show SMILES COc1cc2[nH]c3[C@H](CC(C)C)N4[C@@H](Cc3c2cc1OC)C(=O)N[C@@H](C)C4=O |r|
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n/an/a>1.00E+4n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106209
PNG
(US9695174, 4)
Show SMILES COc1ccc2c3C[C@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O |r|
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n/an/a>1.00E+4n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106203
PNG
(US9695174, I-1)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](C)NC4=O |r|
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n/an/a 600n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM106221
PNG
(US9695174, Ko134)
Show SMILES CC(C)C[C@@H]1N2[C@@H](Cc3c1[nH]c1ccccc31)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C2=O |r|
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n/an/a 3.25E+3n/an/an/an/a7.437



Millennium Pharmaceuticals, Inc.

US Patent


Assay Description
To determine potency of compounds on inhibition of transporters, bi-directional transport studies are performed in Caco-2 cells (American Type Cultur...


US Patent US9695174 (2017)


BindingDB Entry DOI: 10.7270/Q2DN436B
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32638
PNG
(Dihydroergocristine | NSC409663)
Show SMILES CC(C)C1(NC(=O)C2CC3C(Cc4c[nH]c5cccc3c45)N(C)C2)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
Show InChI InChI=1S/C35H41N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41)
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n/an/a 1.18E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32637
PNG
(NSC375985)
Show SMILES Cc1cc(=O)[nH]c2cc3oc4ccccc4c3cc12
Show InChI InChI=1S/C16H11NO2/c1-9-6-16(18)17-13-8-15-12(7-11(9)13)10-4-2-3-5-14(10)19-15/h2-8H,1H3,(H,17,18)
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n/an/a 3.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32636
PNG
(NSC320852)
Show SMILES NN=C1C(OC(=O)Nc2cccc(Cl)c2)=Nc2ccccc12 |w:1.0,c:15|
Show InChI InChI=1S/C15H11ClN4O2/c16-9-4-3-5-10(8-9)18-15(21)22-14-13(20-17)11-6-1-2-7-12(11)19-14/h1-8H,17H2,(H,18,21)
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n/an/a 4.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32635
PNG
(NSC306698)
Show SMILES Cc1ccc(NC(=[OH+])c2cc3ccccc3cc2O)c(C)c1
Show InChI InChI=1S/C19H17NO2/c1-12-7-8-17(13(2)9-12)20-19(22)16-10-14-5-3-4-6-15(14)11-18(16)21/h3-11,21H,1-2H3,(H,20,22)/p+1
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n/an/a 5.40E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32634
PNG
(NSC303769)
Show SMILES Cc1[nH]n(C(=O)c2ccncc2)c(=O)c1N=Nc1ccc2ccccc2c1 |w:15.16|
Show InChI InChI=1S/C20H15N5O2/c1-13-18(20(27)25(24-13)19(26)15-8-10-21-11-9-15)23-22-17-7-6-14-4-2-3-5-16(14)12-17/h2-12,24H,1H3
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n/an/a 5.80E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32633
PNG
(NSC168201)
Show SMILES COc1cc2ccc3c4cc(OC)c(OC)cc4c[n+](C)c3c2cc1OC
Show InChI InChI=1S/C22H22NO4/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23/h6-12H,1-5H3/q+1
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n/an/a 3.90E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32632
PNG
(NSC120688)
Show SMILES [#8]-[#6](=O)-c1ccc(\[#6]=[#7]\[#7]=[#6]-2/c3ccccc3-c3ccccc-23)cc1
Show InChI InChI=1S/C21H14N2O2/c24-21(25)15-11-9-14(10-12-15)13-22-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-13H,(H,24,25)/b22-13+
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n/an/a 4.30E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32620
PNG
(Botryllamide C, 3 | US8470888, Botryllamide D)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12-
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n/an/an/an/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32621
PNG
(Botryllamide D, 4)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)c(Br)c1
Show InChI InChI=1S/C19H18BrNO4/c1-24-17-8-5-14(11-16(17)20)9-10-21-19(23)18(25-2)12-13-3-6-15(22)7-4-13/h3-12,22H,1-2H3,(H,21,23)/b10-9+,18-12+
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n/an/a 1.64E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32622
PNG
(Botryllamide E, 5 | US8470888, Botryllamide I)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-23-17-9-5-14(6-10-17)11-12-20-19(22)18(24-2)13-15-3-7-16(21)8-4-15/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13-
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n/an/a 2.33E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32623
PNG
(Botryllamide F, 6 | US8470888, Botryllamide F)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C18H17NO4/c1-23-17(12-14-4-8-16(21)9-5-14)18(22)19-11-10-13-2-6-15(20)7-3-13/h2-12,20-21H,1H3,(H,19,22)/b11-10+,17-12-
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n/an/a 1.67E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32624
PNG
(Botryllamide G, 7 | US8470888, Botryllamide G)
Show SMILES CO\C(=C/c1ccc(O)cc1)C(=O)N\C=C\c1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C18H15Br2NO4/c1-25-16(10-11-2-4-13(22)5-3-11)18(24)21-7-6-12-8-14(19)17(23)15(20)9-12/h2-10,22-23H,1H3,(H,21,24)/b7-6+,16-10-
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n/an/a 6.90E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32625
PNG
(Botryllamide H, 8 | Botryllamide J, 10)
Show SMILES Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1 |w:5.4|
Show InChI InChI=1S/C18H14N2O4/c19-11-15-13(2-1-3-16(15)22)10-17(23)18(24)20-9-8-12-4-6-14(21)7-5-12/h1-9,21-22H,10H2,(H,20,24)
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n/an/an/an/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32626
PNG
(Botryllamide I, 9)
Show SMILES CO\C(=C\c1ccc(O)cc1)C(=O)N\C=C\c1ccc(OC)cc1
Show InChI InChI=1S/C19H19NO4/c1-23-17-9-5-14(6-10-17)11-12-20-19(22)18(24-2)13-15-3-7-16(21)8-4-15/h3-13,21H,1-2H3,(H,20,22)/b12-11+,18-13+
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n/an/a 4.14E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32625
PNG
(Botryllamide H, 8 | Botryllamide J, 10)
Show SMILES Oc1ccc(C=CNC(=O)C(=O)Cc2cccc(O)c2C#N)cc1 |w:5.4|
Show InChI InChI=1S/C18H14N2O4/c19-11-15-13(2-1-3-16(15)22)10-17(23)18(24)20-9-8-12-4-6-14(21)7-5-12/h1-9,21-22H,10H2,(H,20,24)
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n/an/a 2.69E+4n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32628
PNG
(FTC | Fumitremorgin C)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)|
Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
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n/an/a 790n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


ACS Chem Biol 4: 637-47 (2009)


Article DOI: 10.1021/cb900134c
BindingDB Entry DOI: 10.7270/Q2542KZW
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32629
PNG
(NSC11668 | cid_223753)
Show SMILES Cn1ncc2c(Nc3cccc(Cl)c3)nc(Nc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C18H14Cl2N6/c1-26-17-15(10-21-26)16(22-13-6-2-4-11(19)8-13)24-18(25-17)23-14-7-3-5-12(20)9-14/h2-10H,1H3,(H2,22,23,24,25)
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n/an/a 4.50E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32630
PNG
(NSC19139)
Show SMILES Cn1ncc2c(NCCc3ccccc3)nc(Cl)nc12
Show InChI InChI=1S/C14H14ClN5/c1-20-13-11(9-17-20)12(18-14(15)19-13)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,18,19)
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n/an/a 2.60E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32631
PNG
(Digitonin | NSC23471)
Show SMILES CC1C2C(OC11CCC(C)CO1)C(O)C1C3CCC4CC(OC5OC(CO)C(OC6OC(CO)C(O)C(OC7OCC(O)C(O)C7O)C6OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6O)C(O)C5O)C(O)CC4(C)C3CCC21C
Show InChI InChI=1S/C56H92O29/c1-19-7-10-56(75-17-19)20(2)31-45(85-56)37(67)32-22-6-5-21-11-26(24(61)12-55(21,4)23(22)8-9-54(31,32)3)76-50-42(72)39(69)44(30(16-60)80-50)81-53-48(47(36(66)29(15-59)79-53)83-49-40(70)33(63)25(62)18-74-49)84-52-43(73)46(35(65)28(14-58)78-52)82-51-41(71)38(68)34(64)27(13-57)77-51/h19-53,57-73H,5-18H2,1-4H3
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n/an/a 9.70E+3n/an/an/an/a7.437



SAIC-Frederick



Assay Description
IC50 and maximal activities for inhibition of PhA accumulation were determined from dose-response curves. The accumulation of PhA, a fluorescent ABCG...


Mol Cancer Ther 6: 3271-8 (2007)


Article DOI: 10.1158/1535-7163.MCT-07-0352
BindingDB Entry DOI: 10.7270/Q21C1V7K
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569927
PNG
(CHEMBL4851961)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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17n/an/an/an/an/an/an/an/a


TBA

Assay Description
Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569927
PNG
(CHEMBL4851961)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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29n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569929
PNG
(CHEMBL4876781)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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38n/an/an/an/an/an/an/an/a


TBA

Assay Description
Uncompetitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 min...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569929
PNG
(CHEMBL4876781)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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42n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569927
PNG
(CHEMBL4851961)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCOc4cccc5n(CCc6cccc(OC)c6)c6-c7ccccc7C(=O)c6c45)cccc23)c1
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113n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of Hoechst33342 efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569928
PNG
(CHEMBL4875810)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1
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188n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569929
PNG
(CHEMBL4876781)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(OCCCCCCOc4ccc5C(=O)c6c7c(CC(C)CC7=O)n(CCc7ccccc7)c6-c5c4)cccc23)c1
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192n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569928
PNG
(CHEMBL4875810)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1
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250n/an/an/an/an/an/an/an/a


TBA

Assay Description
Non-competitive inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 m...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50569928
PNG
(CHEMBL4875810)
Show SMILES COc1cccc(CCn2c3-c4ccccc4C(=O)c3c3c(O)cccc23)c1
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294n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50029739
PNG
(CHEMBL3353414)
Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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323n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki1 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50022815
PNG
((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...)
Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r|
Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1
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500n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50029739
PNG
(CHEMBL3353414)
Show SMILES CC1Cc2c(c3C(=O)c4ccccc4-c3n2CCc2ccccc2)C(=O)C1
Show InChI InChI=1S/C24H21NO2/c1-15-13-19-21(20(26)14-15)22-23(17-9-5-6-10-18(17)24(22)27)25(19)12-11-16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3
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843n/an/an/an/an/an/an/an/a


TBA

Assay Description
Mixed inhibition of human ABCG2 transfected in human HEK293 cells assessed as Ki2 for inhibition of mitoxantrone efflux measured after 30 mins by FAC...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.113017
BindingDB Entry DOI: 10.7270/Q2VX0M95
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM32628
PNG
(FTC | Fumitremorgin C)
Show SMILES [H][C@@]12CCCN1C(=O)[C@]1([H])Cc3c([nH]c4cc(OC)ccc34)[C@H](C=C(C)C)N1C2=O |wU:8.9,1.0,wD:22.25,(21.14,-14.06,;22.39,-14.97,;22.72,-13.41,;24.31,-13.24,;24.96,-14.7,;23.78,-15.77,;23.76,-17.37,;25.09,-18.16,;22.36,-18.15,;23.69,-18.93,;22.36,-19.69,;21.03,-20.46,;19.7,-19.69,;18.56,-20.72,;19.18,-22.12,;18.51,-23.56,;19.44,-24.86,;18.81,-26.27,;19.7,-27.52,;21.02,-24.7,;21.66,-23.24,;20.71,-21.96,;19.7,-18.15,;18.36,-17.38,;17.03,-18.15,;15.7,-17.38,;17.03,-19.69,;21.03,-17.38,;21,-15.78,;19.66,-15.02,)|
Show InChI InChI=1S/C22H25N3O3/c1-12(2)9-18-20-15(14-7-6-13(28-3)10-16(14)23-20)11-19-21(26)24-8-4-5-17(24)22(27)25(18)19/h6-7,9-10,17-19,23H,4-5,8,11H2,1-3H3/t17-,18-,19-/m0/s1
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PubMed
1.30E+3n/an/an/an/an/an/an/an/a



Hungarian Academy of Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of ATPase in membrane vesicle from BCRP-expressing Sf9 cells


Biochem Biophys Res Commun 285: 111-7 (2001)


Article DOI: 10.1006/bbrc.2001.5130
BindingDB Entry DOI: 10.7270/Q2W37XK5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50239302
PNG
(CHEMBL4071857)
Show SMILES FC(F)(F)c1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-5-7-15(8-6-14)25-19-16-3-1-2-4-17(16)26-18(27-19)13-9-11-24-12-10-13/h1-12H,(H,25,26,27)
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2.70E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...


J Med Chem 60: 4474-4495 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50239301
PNG
(CHEMBL4065492)
Show SMILES FC(F)(F)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-4-3-5-15(12-14)25-19-16-6-1-2-7-17(16)26-18(27-19)13-8-10-24-11-9-13/h1-12H,(H,25,26,27)
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2.80E+4n/an/an/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) ATPase activity expressed in baculovirus infected high five cell membranes by ascorbic acid/ammonia molybdate re...


J Med Chem 60: 4474-4495 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00441
BindingDB Entry DOI: 10.7270/Q2GT5Q9V
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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n/an/a 8.51E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MDCK cells by pheophorbide A assay


Bioorg Med Chem Lett 20: 180-3 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.004
BindingDB Entry DOI: 10.7270/Q2G73DT7
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
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n/an/a 5.25E+5n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay


Bioorg Med Chem 16: 8224-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.034
BindingDB Entry DOI: 10.7270/Q2765GK5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM50423645
PNG
(Albamycin | Cathomycin | NOVOBIOCIN)
Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6]
Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1
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n/an/a 6.61E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay


Bioorg Med Chem 16: 8224-36 (2008)


Article DOI: 10.1016/j.bmc.2008.07.034
BindingDB Entry DOI: 10.7270/Q2765GK5
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM47373
PNG
(2-methoxy-N-(2-morpholinophenyl)-5-(phthalimidomet...)
Show SMILES COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1ccccc1N1CCOCC1
Show InChI InChI=1S/C27H25N3O5/c1-34-24-11-10-18(17-30-26(32)19-6-2-3-7-20(19)27(30)33)16-21(24)25(31)28-22-8-4-5-9-23(22)29-12-14-35-15-13-29/h2-11,16H,12-15,17H2,1H3,(H,28,31)
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n/an/an/an/a 340n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM47375
PNG
(N-[(E)-[3-[[4-(4-fluorophenyl)-1-piperazinyl]methy...)
Show SMILES COc1cc(ccc1O)C(=O)N\N=C\c1ccc(OC)c(CN2CCN(CC2)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H29FN4O4/c1-35-25-10-3-19(17-29-30-27(34)20-4-9-24(33)26(16-20)36-2)15-21(25)18-31-11-13-32(14-12-31)23-7-5-22(28)6-8-23/h3-10,15-17,33H,11-14,18H2,1-2H3,(H,30,34)/b29-17+
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n/an/an/an/a 760n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM47376
PNG
(4-[1-[benzyl-[2-(2-thienyl)acetyl]amino]-2-(cycloh...)
Show SMILES COC(=O)c1ccc(cc1)C(N(Cc1ccccc1)C(=O)Cc1cccs1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H32N2O4S/c1-35-29(34)23-16-14-22(15-17-23)27(28(33)30-24-11-6-3-7-12-24)31(20-21-9-4-2-5-10-21)26(32)19-25-13-8-18-36-25/h2,4-5,8-10,13-18,24,27H,3,6-7,11-12,19-20H2,1H3,(H,30,33)
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n/an/an/an/a 4.60E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
Broad substrate specificity ATP-binding cassette transporter ABCG2


(Homo sapiens (Human))
BDBM47377
PNG
((4E)-4-(dimethylaminomethylene)-5-methyl-2-(4-nitr...)
Show SMILES [#6]-c1[n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c(=O)c1\[#6]=[#7+](\[#6])-[#6]
Show InChI InChI=1S/C13H14N4O3/c1-9-12(8-15(2)3)13(18)16(14-9)10-4-6-11(7-5-10)17(19)20/h4-8H,1-3H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support:1R03MH081228-01A1 High-throughput multiplex screening for ABC transporter inhibitors PI: Rich...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2416VFN
More data for this
Ligand-Target Pair
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