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Compile Data Set for Download or QSAR

Found 1163 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277401
PNG
(CHEMBL4168440)
Show SMILES CSc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H16N4O2S/c1-28-17-9-5-7-15(13-17)22-21-18-10-2-3-11-19(18)23-20(24-21)14-6-4-8-16(12-14)25(26)27/h2-13H,1H3,(H,22,23,24)
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n/an/an/an/a 0.600n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277418
PNG
(CHEMBL4159635)
Show SMILES COc1ccc(cc1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1
Show InChI InChI=1S/C23H21N3O3/c1-27-17-11-8-15(9-12-17)22-25-19-7-5-4-6-18(19)23(26-22)24-16-10-13-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26)
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n/an/an/an/a 1.20n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263281
PNG
(CHEMBL4101737)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(O)cc2)c2cccnc2n1
Show InChI InChI=1S/C20H16N4O2/c1-26-16-5-2-4-13(12-16)18-23-19-17(6-3-11-21-19)20(24-18)22-14-7-9-15(25)10-8-14/h2-12,25H,1H3,(H,21,22,23,24)
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n/an/an/an/a 2n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277421
PNG
(CHEMBL4172744)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C20H13N5O4/c26-24(27)15-7-3-5-13(11-15)19-22-18-10-2-1-9-17(18)20(23-19)21-14-6-4-8-16(12-14)25(28)29/h1-12H,(H,21,22,23)
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n/an/an/an/a 2n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263280
PNG
(CHEMBL4073213)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)C#N)c2cccnc2n1
Show InChI InChI=1S/C21H15N5O/c1-27-17-5-2-4-15(12-17)19-25-20-18(6-3-11-23-20)21(26-19)24-16-9-7-14(13-22)8-10-16/h2-12H,1H3,(H,23,24,25,26)
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n/an/an/an/a 3n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50444007
PNG
(CHEMBL3092485)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-14(12-20(19)30-2)21-24-18-9-4-3-8-17(18)22(25-21)23-15-6-5-7-16(13-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 3.5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263278
PNG
(CHEMBL4094899)
Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(c2)C#N)c2cccnc2n1
Show InChI InChI=1S/C21H15N5O/c1-27-17-8-3-6-15(12-17)19-25-20-18(9-4-10-23-20)21(26-19)24-16-7-2-5-14(11-16)13-22/h2-12H,1H3,(H,23,24,25,26)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277423
PNG
(CHEMBL4176228)
Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C21H16N4O3/c1-28-17-9-4-6-14(12-17)20-23-19-11-3-2-10-18(19)21(24-20)22-15-7-5-8-16(13-15)25(26)27/h2-13H,1H3,(H,22,23,24)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239295
PNG
(CHEMBL4081708)
Show SMILES N#Cc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C20H13N5/c21-12-14-7-9-16(10-8-14)23-20-17-5-1-2-6-18(17)24-19(25-20)15-4-3-11-22-13-15/h1-11,13H,(H,23,24,25)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239327
PNG
(CHEMBL4082228)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-5-3-4-14(12-15)21-19-16-6-1-2-7-17(16)22-18(23-19)13-8-10-20-11-9-13/h1-12H,(H,21,22,23)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263377
PNG
(CHEMBL4072298)
Show SMILES [O-][N+](=O)c1cccc(Nc2nc(nc3ncccc23)-c2cccnc2)c1
Show InChI InChI=1S/C18H12N6O2/c25-24(26)14-6-1-5-13(10-14)21-18-15-7-3-9-20-17(15)22-16(23-18)12-4-2-8-19-11-12/h1-11H,(H,20,21,22,23)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263351
PNG
(CHEMBL4091528)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(F)cc2)c2cccnc2n1
Show InChI InChI=1S/C20H15FN4O/c1-26-16-5-2-4-13(12-16)18-24-19-17(6-3-11-22-19)20(25-18)23-15-9-7-14(21)8-10-15/h2-12H,1H3,(H,22,23,24,25)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277393
PNG
(CHEMBL4160529)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1
Show InChI InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(H,25,26,27)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277397
PNG
(CHEMBL4171304)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(OC)c(OC)c2)c2ccccc2n1
Show InChI InChI=1S/C23H21N3O3/c1-27-17-8-6-7-15(13-17)22-25-19-10-5-4-9-18(19)23(26-22)24-16-11-12-20(28-2)21(14-16)29-3/h4-14H,1-3H3,(H,24,25,26)
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n/an/an/an/a 4n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50444023
PNG
(CHEMBL3092486)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 4.70n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263320
PNG
(CHEMBL4074563)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ncccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-10-8-14(9-11-15)21-19-16-7-4-12-20-18(16)22-17(23-19)13-5-2-1-3-6-13/h1-12H,(H,20,21,22,23)
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n/an/an/an/a 5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277404
PNG
(CHEMBL4161427)
Show SMILES Oc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1[N+]([O-])=O
Show InChI InChI=1S/C20H13N5O5/c26-18-9-8-13(11-17(18)25(29)30)21-20-15-6-1-2-7-16(15)22-19(23-20)12-4-3-5-14(10-12)24(27)28/h1-11,26H,(H,21,22,23)
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n/an/an/an/a 5n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277399
PNG
(CHEMBL4166863)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C21H16N4O3/c1-28-17-6-4-5-14(13-17)20-23-19-8-3-2-7-18(19)21(24-20)22-15-9-11-16(12-10-15)25(26)27/h2-13H,1H3,(H,22,23,24)
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n/an/an/an/a 6n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239326
PNG
(CHEMBL4083491)
Show SMILES Oc1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1[N+]([O-])=O
Show InChI InChI=1S/C19H13N5O3/c25-17-8-7-13(10-16(17)24(26)27)21-19-14-5-1-2-6-15(14)22-18(23-19)12-4-3-9-20-11-12/h1-11,25H,(H,21,22,23)
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n/an/an/an/a 7n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50444023
PNG
(CHEMBL3092486)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 7.40n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cell growth inhibition after 72 hrs by ...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263273
PNG
(CHEMBL4081623)
Show SMILES COc1ccc(Nc2nc(nc3ncccc23)-c2ccccc2)cc1OC
Show InChI InChI=1S/C21H18N4O2/c1-26-17-11-10-15(13-18(17)27-2)23-21-16-9-6-12-22-20(16)24-19(25-21)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,22,23,24,25)
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n/an/an/an/a 8n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263277
PNG
(CHEMBL4064296)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(O)c(c2)[N+]([O-])=O)c2cccnc2n1
Show InChI InChI=1S/C20H15N5O4/c1-29-14-5-2-4-12(10-14)18-23-19-15(6-3-9-21-19)20(24-18)22-13-7-8-17(26)16(11-13)25(27)28/h2-11,26H,1H3,(H,21,22,23,24)
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n/an/an/an/a 8n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239322
PNG
(CHEMBL4075328)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-9-7-14(8-10-15)21-19-16-5-1-2-6-17(16)22-18(23-19)13-4-3-11-20-12-13/h1-12H,(H,21,22,23)
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n/an/an/an/a 9n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277393
PNG
(CHEMBL4160529)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1
Show InChI InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(H,25,26,27)
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n/an/an/an/a 9.70n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone-induced cell growth inhibition after 72 hrs by ...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277405
PNG
(CHEMBL4165918)
Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)cc1OC
Show InChI InChI=1S/C22H18N4O4/c1-29-19-11-10-15(13-20(19)30-2)23-22-17-8-3-4-9-18(17)24-21(25-22)14-6-5-7-16(12-14)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 10n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239319
PNG
(CHEMBL4082355)
Show SMILES COc1ccc(Nc2nc(nc3ccccc23)-c2ccncc2)cc1OC
Show InChI InChI=1S/C21H18N4O2/c1-26-18-8-7-15(13-19(18)27-2)23-21-16-5-3-4-6-17(16)24-20(25-21)14-9-11-22-12-10-14/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 10n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50075373
PNG
(1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)
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n/an/an/an/a 10n/an/an/an/a



Universit£ degli Studi di Bari 'A. Moro'

Curated by ChEMBL


Assay Description
Activity at BCRP (unknown origin) expressed in MDCK cells using rhodmaine 123 as substrate incubated for 30 mins prior to substrate addition measured...


Bioorg Med Chem Lett 23: 1370-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.084
BindingDB Entry DOI: 10.7270/Q28S4R87
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263305
PNG
(CHEMBL4082782)
Show SMILES Fc1cccc(Nc2nc(nc3ncccc23)-c2cccnc2)c1
Show InChI InChI=1S/C18H12FN5/c19-13-5-1-6-14(10-13)22-18-15-7-3-9-21-17(15)23-16(24-18)12-4-2-8-20-11-12/h1-11H,(H,21,22,23,24)
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n/an/an/an/a 11n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50033333
PNG
((3-Chloro-phenyl)-(2-phenyl-quinazolin-4-yl)-amine...)
Show SMILES Clc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C20H14ClN3/c21-15-9-6-10-16(13-15)22-20-17-11-4-5-12-18(17)23-19(24-20)14-7-2-1-3-8-14/h1-13H,(H,22,23,24)
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n/an/an/an/a 11n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277426
PNG
(CHEMBL4172203)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(O)c(c2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O5/c1-30-19-10-7-13(11-20(19)31-2)21-24-16-6-4-3-5-15(16)22(25-21)23-14-8-9-18(27)17(12-14)26(28)29/h3-12,27H,1-2H3,(H,23,24,25)
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n/an/an/an/a 11n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277400
PNG
(CHEMBL4176534)
Show SMILES COc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)[N+]([O-])=O)c1
Show InChI InChI=1S/C21H16N4O3/c1-28-17-9-5-7-15(13-17)22-21-18-10-2-3-11-19(18)23-20(24-21)14-6-4-8-16(12-14)25(26)27/h2-13H,1H3,(H,22,23,24)
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n/an/an/an/a 11n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263304
PNG
(CHEMBL4099250)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ncccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C18H12N6O2/c25-24(26)14-7-5-13(6-8-14)21-18-15-4-2-10-20-17(15)22-16(23-18)12-3-1-9-19-11-12/h1-11H,(H,20,21,22,23)
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n/an/an/an/a 12n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50305083
PNG
(3-((3S,6S)-6-Isobutyl-9-methoxy-1,4-dioxo-1,2,3,4,...)
Show SMILES COc1ccc2c3C[C@@H]4N([C@@H](CC(C)C)c3[nH]c2c1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC4=O
Show InChI InChI=1/C26H35N3O5/c1-14(2)11-20-23-17(16-8-7-15(33-6)12-19(16)27-23)13-21-24(31)28-18(25(32)29(20)21)9-10-22(30)34-26(3,4)5/h7-8,12,14,18,20-21,27H,9-11,13H2,1-6H3,(H,28,31)/t18-,20-,21-/s2
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n/an/an/an/a 12n/an/an/an/a



BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...


J Med Chem 57: 2930-41 (2014)


Article DOI: 10.1021/jm401879z
BindingDB Entry DOI: 10.7270/Q2Q81FMQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277398
PNG
(CHEMBL4171781)
Show SMILES COc1cccc(Nc2nc(nc3ccccc23)-c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C23H21N3O3/c1-27-17-8-6-7-16(14-17)24-23-18-9-4-5-10-19(18)25-22(26-23)15-11-12-20(28-2)21(13-15)29-3/h4-14H,1-3H3,(H,24,25,26)
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n/an/an/an/a 12n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239322
PNG
(CHEMBL4075328)
Show SMILES [O-][N+](=O)c1ccc(Nc2nc(nc3ccccc23)-c2cccnc2)cc1
Show InChI InChI=1S/C19H13N5O2/c25-24(26)15-9-7-14(8-10-15)21-19-16-5-1-2-6-17(16)22-18(23-19)13-4-3-11-20-12-13/h1-12H,(H,21,22,23)
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n/an/an/an/a 13n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of mitoxantrone induced cytotoxicity by measuring cell viabilit...


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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50444023
PNG
(CHEMBL3092486)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(cc2)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C22H18N4O4/c1-29-19-12-7-14(13-20(19)30-2)21-24-18-6-4-3-5-17(18)22(25-21)23-15-8-10-16(11-9-15)26(27)28/h3-13H,1-2H3,(H,23,24,25)
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n/an/an/an/a 13n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of SN-38-induced cell growth inhibition after 72 hrs by MTT ass...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263275
PNG
(CHEMBL547193 | MMV665798 | TCMDC-125597)
Show SMILES FC(F)(F)c1cccc(Nc2nc(nc3ncccc23)-c2ccccc2)c1
Show InChI InChI=1S/C20H13F3N4/c21-20(22,23)14-8-4-9-15(12-14)25-19-16-10-5-11-24-18(16)26-17(27-19)13-6-2-1-3-7-13/h1-12H,(H,24,25,26,27)
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n/an/an/an/a 13n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263282
PNG
(CHEMBL4073354)
Show SMILES COc1cccc(c1)-c1nc(Nc2ccc(OC)c(OC)c2)c2cccnc2n1
Show InChI InChI=1S/C22H20N4O3/c1-27-16-7-4-6-14(12-16)20-25-21-17(8-5-11-23-21)22(26-20)24-15-9-10-18(28-2)19(13-15)29-3/h4-13H,1-3H3,(H,23,24,25,26)
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n/an/an/an/a 13n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263378
PNG
(CHEMBL4075963)
Show SMILES COc1cccc(c1)-c1nc(Nc2cccc(c2)[N+]([O-])=O)c2cccnc2n1
Show InChI InChI=1S/C20H15N5O3/c1-28-16-8-2-5-13(11-16)18-23-19-17(9-4-10-21-19)20(24-18)22-14-6-3-7-15(12-14)25(26)27/h2-12H,1H3,(H,21,22,23,24)
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n/an/an/an/a 14n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277440
PNG
(CHEMBL4160887)
Show SMILES COc1cccc(c1)-c1nc(Nc2cc(cc(c2)[N+]([O-])=O)[N+]([O-])=O)c2ccccc2n1
Show InChI InChI=1S/C21H15N5O5/c1-31-17-6-4-5-13(9-17)20-23-19-8-3-2-7-18(19)21(24-20)22-14-10-15(25(27)28)12-16(11-14)26(29)30/h2-12H,1H3,(H,22,23,24)
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University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50394041
PNG
(CHEMBL2158558)
Show SMILES N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H14N4/c22-14-15-7-6-10-17(13-15)23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,(H,23,24,25)
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University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50394041
PNG
(CHEMBL2158558)
Show SMILES N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccccc2)c1
Show InChI InChI=1S/C21H14N4/c22-14-15-7-6-10-17(13-15)23-21-18-11-4-5-12-19(18)24-20(25-21)16-8-2-1-3-9-16/h1-13H,(H,23,24,25)
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n/an/an/an/a 15n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50009160
PNG
(CHEMBL3238330)
Show SMILES COc1cccc(OC)c1\C=C\C(=O)c1ccc(cc1)C(=O)\C=C\c1c(OC)cccc1OC
Show InChI InChI=1S/C28H26O6/c1-31-25-7-5-8-26(32-2)21(25)15-17-23(29)19-11-13-20(14-12-19)24(30)18-16-22-27(33-3)9-6-10-28(22)34-4/h5-18H,1-4H3/b17-15+,18-16+
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BMSSI UMR 5086 CNRS/Universit£ Lyon 1

Curated by ChEMBL


Assay Description
Inhibition of ABCG2 (unknown origin) transfected in HEK293 cells assessed as inhibition of mitoxantrone efflux at 5 uM after 30 mins in presence of 0...


J Med Chem 57: 2930-41 (2014)


Article DOI: 10.1021/jm401879z
BindingDB Entry DOI: 10.7270/Q2Q81FMQ
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50239329
PNG
(CHEMBL4059784)
Show SMILES N#Cc1cccc(Nc2nc(nc3ccccc23)-c2ccncc2)c1
Show InChI InChI=1S/C20H13N5/c21-13-14-4-3-5-16(12-14)23-20-17-6-1-2-7-18(17)24-19(25-20)15-8-10-22-11-9-15/h1-12H,(H,23,24,25)
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n/an/an/an/a 16n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation 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
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263272
PNG
(CHEMBL4077346)
Show SMILES COc1ccc(Nc2nc(nc3ncccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C20H16N4O/c1-25-16-11-9-15(10-12-16)22-20-17-8-5-13-21-19(17)23-18(24-20)14-6-3-2-4-7-14/h2-13H,1H3,(H,21,22,23,24)
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n/an/an/an/a 16n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263306
PNG
(CHEMBL4060914)
Show SMILES Oc1cccc(Nc2nc(nc3ncccc23)-c2cccnc2)c1
Show InChI InChI=1S/C18H13N5O/c24-14-6-1-5-13(10-14)21-18-15-7-3-9-20-17(15)22-16(23-18)12-4-2-8-19-11-12/h1-11,24H,(H,20,21,22,23)
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n/an/an/an/a 16n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50263330
PNG
(CHEMBL4076800)
Show SMILES Oc1ccc(Nc2nc(nc3ncccc23)-c2ccccc2)cc1
Show InChI InChI=1S/C19H14N4O/c24-15-10-8-14(9-11-15)21-19-16-7-4-12-20-18(16)22-17(23-19)13-5-2-1-3-6-13/h1-12,24H,(H,20,21,22,23)
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n/an/an/an/a 16n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of recombinant human ABCG2 ATPase activity expressed in baculovirus infected High five insect cell membranes after 20 mins by ascorbic aci...


J Med Chem 61: 3389-3408 (2018)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277393
PNG
(CHEMBL4160529)
Show SMILES COc1ccc(cc1OC)-c1nc(Nc2ccc(Br)c(OC)c2)c2ccccc2n1
Show InChI InChI=1S/C23H20BrN3O3/c1-28-19-11-8-14(12-21(19)30-3)22-26-18-7-5-4-6-16(18)23(27-22)25-15-9-10-17(24)20(13-15)29-2/h4-13H,1-3H3,(H,25,26,27)
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n/an/an/an/a 16n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human GFP-fused ABCG2 expressed in MDCK2 cells assessed as potentiation of SN-38-induced cell growth inhibition after 72 hrs by MTT ass...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50429667
PNG
(CHEMBL2335007)
Show SMILES COc1cc2CCN(Cc3ccc(Oc4ccc(cn4)-c4nc(cs4)-c4cccc(O)c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C32H29N3O4S/c1-37-29-15-22-12-13-35(19-25(22)16-30(29)38-2)18-21-6-9-27(10-7-21)39-31-11-8-24(17-33-31)32-34-28(20-40-32)23-4-3-5-26(36)14-23/h3-11,14-17,20,36H,12-13,18-19H2,1-2H3
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n/an/an/an/a 18n/an/an/an/a



Universit£ degli Studi di Bari 'A. Moro'

Curated by ChEMBL


Assay Description
Activity at BCRP (unknown origin) expressed in MDCK cells using rhodmaine 123 as substrate incubated for 30 mins prior to substrate addition measured...


Bioorg Med Chem Lett 23: 1370-4 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.084
BindingDB Entry DOI: 10.7270/Q28S4R87
More data for this
Ligand-Target Pair
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50277396
PNG
(CHEMBL4172857)
Show SMILES CC(=O)Nc1cccc(Nc2nc(nc3ccccc23)-c2cccc(c2)C#N)c1
Show InChI InChI=1S/C23H17N5O/c1-15(29)25-18-8-5-9-19(13-18)26-23-20-10-2-3-11-21(20)27-22(28-23)17-7-4-6-16(12-17)14-24/h2-13H,1H3,(H,25,29)(H,26,27,28)
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n/an/an/an/a 19n/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Activation of ABCG2 ATPase activity (unknown origin) expressed in baculovirus infected high5 cell membranes after 20 mins by ascorbic acid ammonia mo...


Eur J Med Chem 139: 587-611 (2017)

More data for this
Ligand-Target Pair
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