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8 similar compounds to monomer 50375812

Wt: 431.5
BDBM50241464
Wt: 431.5
BDBM50241468
Wt: 595.6
BDBM50305080
Purchase
Wt: 580.6
BDBM50305081
Wt: 535.6
BDBM50375810
Wt: 416.5
BDBM50412359
Wt: 466.5
BDBM50411951
Wt: 476.5
BDBM50411957

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 37 hits for monomerid = 50241464,50241468,50305080,50305081,50375810,50412359,50411951,50411957   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-binding cassette sub-family G member 2


(Homo sapiens (Human))
BDBM50305081
PNG
(CHEMBL595493 | N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H32N4O6/c1-42-30-19-24-16-18-36(21-25(24)20-31(30)43-2)17-15-22-7-11-26(12-8-22)34-33(39)28-5-3-4-6-29(28)35-32(38)23-9-13-27(14-10-23)37(40)41/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H,35,38)
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n/an/a 630n/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


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


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 860n/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


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


(Homo sapiens (Human))
BDBM50241464
PNG
(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-20-12-14-29(17-21(20)16-25(24)32-2)13-11-18-3-9-23(10-4-18)28-26(30)19-5-7-22(27)8-6-19/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 2.19E+5n/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


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


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 930n/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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 250n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of Pgp by daunorubicin accumulation assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 and 3 (MDR1a/MDR1b)


(Mus musculus)
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 300n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of mouse Pgp in EMT6/AR1.0 cells after 1 hr by daunorubicin accumulation assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 724n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50411951
PNG
(CHEMBL260113)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C30H30N2O3/c1-34-28-18-24-14-16-32(20-26(24)19-29(28)35-2)15-13-21-7-11-27(12-8-21)31-30(33)25-10-9-22-5-3-4-6-23(22)17-25/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,33)
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n/an/a 776n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50411957
PNG
(CHEMBL260896)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C28H32N2O5/c1-32-24-10-7-21(16-25(24)33-2)28(31)29-23-8-5-19(6-9-23)11-13-30-14-12-20-15-26(34-3)27(35-4)17-22(20)18-30/h5-10,15-17H,11-14,18H2,1-4H3,(H,29,31)
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n/an/a 5.37E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50241464
PNG
(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-20-12-14-29(17-21(20)16-25(24)32-2)13-11-18-3-9-23(10-4-18)28-26(30)19-5-7-22(27)8-6-19/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 7.08E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50241468
PNG
(2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4N)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-19-12-14-29(17-20(19)16-25(24)32-2)13-11-18-7-9-21(10-8-18)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 1.12E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 331n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50411951
PNG
(CHEMBL260113)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C30H30N2O3/c1-34-28-18-24-14-16-32(20-26(24)19-29(28)35-2)15-13-21-7-11-27(12-8-21)31-30(33)25-10-9-22-5-3-4-6-23(22)17-25/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,33)
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n/an/a 776n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50411957
PNG
(CHEMBL260896)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C28H32N2O5/c1-32-24-10-7-21(16-25(24)33-2)28(31)29-23-8-5-19(6-9-23)11-13-30-14-12-20-15-26(34-3)27(35-4)17-22(20)18-30/h5-10,15-17H,11-14,18H2,1-4H3,(H,29,31)
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n/an/a 4.17E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50241464
PNG
(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-20-12-14-29(17-21(20)16-25(24)32-2)13-11-18-3-9-23(10-4-18)28-26(30)19-5-7-22(27)8-6-19/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 4.07E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50241468
PNG
(2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4N)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-19-12-14-29(17-20(19)16-25(24)32-2)13-11-18-7-9-21(10-8-18)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 9.12E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 513n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by Hoechst 33342 assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 339n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of human Pgp in A2780 cells after 30 mins by calcein AM assay


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


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 3.98E+3n/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


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


(Homo sapiens (Human))
BDBM50241464
PNG
(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-20-12-14-29(17-21(20)16-25(24)32-2)13-11-18-3-9-23(10-4-18)28-26(30)19-5-7-22(27)8-6-19/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 2.63E+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


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


(Homo sapiens (Human))
BDBM50241468
PNG
(2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4N)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-19-12-14-29(17-20(19)16-25(24)32-2)13-11-18-7-9-21(10-8-18)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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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 ABCG2 in human mitoxantrone-resistant MCF7 cells by Hoechst 33342 assay


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


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 2.09E+3n/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


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


(Homo sapiens (Human))
BDBM50411951
PNG
(CHEMBL260113)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc5ccccc5c4)cc3)Cc2cc1OC
Show InChI InChI=1S/C30H30N2O3/c1-34-28-18-24-14-16-32(20-26(24)19-29(28)35-2)15-13-21-7-11-27(12-8-21)31-30(33)25-10-9-22-5-3-4-6-23(22)17-25/h3-12,17-19H,13-16,20H2,1-2H3,(H,31,33)
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n/an/a 7.24E+3n/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


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


(Homo sapiens (Human))
BDBM50412359
PNG
(CHEMBL471170)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H28N2O3/c1-30-24-16-21-13-15-28(18-22(21)17-25(24)31-2)14-12-19-8-10-23(11-9-19)27-26(29)20-6-4-3-5-7-20/h3-11,16-17H,12-15,18H2,1-2H3,(H,27,29)
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n/an/a 2.45E+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


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


(Homo sapiens (Human))
BDBM50411957
PNG
(CHEMBL260896)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C28H32N2O5/c1-32-24-10-7-21(16-25(24)33-2)28(31)29-23-8-5-19(6-9-23)11-13-30-14-12-20-15-26(34-3)27(35-4)17-22(20)18-30/h5-10,15-17H,11-14,18H2,1-4H3,(H,29,31)
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n/an/a 4.79E+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


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 513n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein by Hoechst assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 9.77E+6n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50375810
PNG
(CHEMBL346292 | XR-9456)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccccc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H33N3O4/c1-39-30-20-25-17-19-36(22-26(25)21-31(30)40-2)18-16-23-12-14-27(15-13-23)34-33(38)28-10-6-7-11-29(28)35-32(37)24-8-4-3-5-9-24/h3-15,20-21H,16-19,22H2,1-2H3,(H,34,38)(H,35,37)
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n/an/a 851n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 1.29E+6n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in MDCK-MDR1 cells by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 339n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein expressed in A2780/ADR cells by calcein AM assay


Citation and Details
More data for this
Ligand-Target Pair
P-glycoprotein 1 (Pgp/MDR1)


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a 331n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of P-glycoprotein by Hoechst assay


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


(Homo sapiens (Human))
BDBM50241468
PNG
(2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4N)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-19-12-14-29(17-20(19)16-25(24)32-2)13-11-18-7-9-21(10-8-18)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 2.07E+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


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


(Homo sapiens (Human))
BDBM50241464
PNG
(4-amino-N-(4-(2-(6,7-dimethoxy-3,4-dihydroisoquino...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccc(N)cc4)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-20-12-14-29(17-21(20)16-25(24)32-2)13-11-18-3-9-23(10-4-18)28-26(30)19-5-7-22(27)8-6-19/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 9.82E+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


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50305081
PNG
(CHEMBL595493 | N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H32N4O6/c1-42-30-19-24-16-18-36(21-25(24)20-31(30)43-2)17-15-22-7-11-26(12-8-22)34-33(39)28-5-3-4-6-29(28)35-32(38)23-9-13-27(14-10-23)37(40)41/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H,35,38)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 assessed as calcein AM accumulation by fluorescence assay


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


(Homo sapiens (Human))
BDBM50305081
PNG
(CHEMBL595493 | N-(4-(2-(6,7-dimethoxy-3,4-dihydroi...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4NC(=O)c4ccc(cc4)[N+]([O-])=O)cc3)Cc2cc1OC
Show InChI InChI=1S/C33H32N4O6/c1-42-30-19-24-16-18-36(21-25(24)20-31(30)43-2)17-15-22-7-11-26(12-8-22)34-33(39)28-5-3-4-6-29(28)35-32(38)23-9-13-27(14-10-23)37(40)41/h3-14,19-20H,15-18,21H2,1-2H3,(H,34,39)(H,35,38)
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n/an/a 690n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of BCRP expressed in MCF7 MX cells by Hoechst 33342 staining


Citation and Details
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))
BDBM50305080
PNG
(CHEMBL247473 | N-(2-(4-(2-(6,7-dimethoxy-3,4-dihyd...)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1C(=O)Nc1ccc(CCN2CCc3cc(OC)c(OC)cc3C2)cc1
Show InChI InChI=1S/C35H37N3O6/c1-41-30-14-11-25(20-31(30)42-2)34(39)37-29-8-6-5-7-28(29)35(40)36-27-12-9-23(10-13-27)15-17-38-18-16-24-19-32(43-3)33(44-4)21-26(24)22-38/h5-14,19-21H,15-18,22H2,1-4H3,(H,36,40)(H,37,39)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Inhibition of MRP1 assessed as calcein AM accumulation by fluorescence assay


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


(Homo sapiens (Human))
BDBM50241468
PNG
(2-Amino-N-{4-[2-(6,7-dimethoxy-3,4-dihydro-1Hisoqu...)
Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4ccccc4N)cc3)Cc2cc1OC
Show InChI InChI=1S/C26H29N3O3/c1-31-24-15-19-12-14-29(17-20(19)16-25(24)32-2)13-11-18-7-9-21(10-8-18)28-26(30)22-5-3-4-6-23(22)27/h3-10,15-16H,11-14,17,27H2,1-2H3,(H,28,30)
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n/an/a 3.24E+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


Citation and Details
More data for this
Ligand-Target Pair