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PubMed code 22112208

Compile data set for download or QSAR
Found 98 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363091
PNG
(CHEMBL1945306)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H20N2O8/c1-29-20-10-15(11-21(30-2)22(20)31-3)23(26)24-16-6-4-13(8-17(16)25(27)28)14-5-7-18-19(9-14)33-12-32-18/h4-11H,12H2,1-3H3,(H,24,26)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363091
PNG
(CHEMBL1945306)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H20N2O8/c1-29-20-10-15(11-21(30-2)22(20)31-3)23(26)24-16-6-4-13(8-17(16)25(27)28)14-5-7-18-19(9-14)33-12-32-18/h4-11H,12H2,1-3H3,(H,24,26)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363094
PNG
(CHEMBL1945309)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-9-7-14(8-10-17)15-5-4-6-18(11-15)24(26)27/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363094
PNG
(CHEMBL1945309)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-9-7-14(8-10-17)15-5-4-6-18(11-15)24(26)27/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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
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n/an/a 500n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363087
PNG
(CHEMBL1945302)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-11-15(9-10-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363087
PNG
(CHEMBL1945302)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-11-15(9-10-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363092
PNG
(CHEMBL1945307)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C24H22N2O7/c1-14(27)15-6-5-7-16(10-15)17-8-9-19(20(11-17)26(29)30)25-24(28)18-12-21(31-2)23(33-4)22(13-18)32-3/h5-13H,1-4H3,(H,25,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363092
PNG
(CHEMBL1945307)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C24H22N2O7/c1-14(27)15-6-5-7-16(10-15)17-8-9-19(20(11-17)26(29)30)25-24(28)18-12-21(31-2)23(33-4)22(13-18)32-3/h5-13H,1-4H3,(H,25,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363096
PNG
(CHEMBL1945311)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-27-19-11-9-16(13-20(19)28-2)21(24)22-17-10-8-15(12-18(17)23(25)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363082
PNG
(CHEMBL1944866)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C22H20FNO4/c1-26-19-12-16(13-20(27-2)21(19)28-3)22(25)24-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363098
PNG
(CHEMBL1945313)
Show SMILES COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O5/c1-27-20-11-15(12-21(28-2)22(20)29-3)14-23-18-10-9-17(13-19(18)24(25)26)16-7-5-4-6-8-16/h4-13,23H,14H2,1-3H3
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363084
PNG
(CHEMBL1944868)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
Show InChI InChI=1S/C24H24N2O5/c1-15(27)25-20-12-17(16-8-6-5-7-9-16)10-11-19(20)26-24(28)18-13-21(29-2)23(31-4)22(14-18)30-3/h5-14H,1-4H3,(H,25,27)(H,26,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363099
PNG
(CHEMBL1945314)
Show SMILES COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)23-22(25)17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363090
PNG
(CHEMBL1945305)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H18F2N2O6/c1-30-19-9-14(10-20(31-2)21(19)32-3)22(27)25-17-5-4-12(8-18(17)26(28)29)13-6-15(23)11-16(24)7-13/h4-11H,1-3H3,(H,25,27)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363090
PNG
(CHEMBL1945305)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H18F2N2O6/c1-30-19-9-14(10-20(31-2)21(19)32-3)22(27)25-17-5-4-12(8-18(17)26(28)29)13-6-15(23)11-16(24)7-13/h4-11H,1-3H3,(H,25,27)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50013920
PNG
(3-[(R)-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-p...)
Show SMILES CN(C)C(=O)CCS[C@H](SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+/t26-/m1/s1
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363113
PNG
(CHEMBL1945976)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(O)c(O)c(OC)c1
Show InChI InChI=1S/C21H18N2O9/c1-31-17-8-11(6-15(24)19(17)26)10-3-4-13(14(5-10)23(29)30)22-21(28)12-7-16(25)20(27)18(9-12)32-2/h3-9,24-27H,1-2H3,(H,22,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363074
PNG
(CHEMBL1945982)
Show SMILES COc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O5/c1-27-19-10-8-15(12-18(19)23)20(24)21-16-9-7-14(11-17(16)22(25)26)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363089
PNG
(CHEMBL1945304)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccnc1
Show InChI InChI=1S/C21H19N3O6/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)23-16-7-6-13(9-17(16)24(26)27)14-5-4-8-22-12-14/h4-12H,1-3H3,(H,23,25)
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n/an/a 6.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363097
PNG
(CHEMBL1945312)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-27-17-10-16(11-18(13-17)28-2)21(24)22-19-9-8-15(12-20(19)23(25)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363089
PNG
(CHEMBL1945304)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccnc1
Show InChI InChI=1S/C21H19N3O6/c1-28-18-10-15(11-19(29-2)20(18)30-3)21(25)23-16-7-6-13(9-17(16)24(26)27)14-5-4-8-22-12-14/h4-12H,1-3H3,(H,23,25)
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM81939
PNG
(CAS_52-53-9 | NSC_62969 | VERAPAMIL)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
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
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n/an/a 6.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363081
PNG
(CHEMBL1944865)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1ccccc1
Show InChI InChI=1S/C22H22N2O4/c1-26-19-12-16(13-20(27-2)21(19)28-3)22(25)24-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-13H,23H2,1-3H3,(H,24,25)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363112
PNG
(CHEMBL1945975)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C22H18N2O7/c1-12(25)13-4-3-5-14(8-13)15-6-7-17(18(9-15)24(29)30)23-22(28)16-10-19(26)21(27)20(11-16)31-2/h3-11,26-27H,1-2H3,(H,23,28)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363109
PNG
(CHEMBL1945517)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363112
PNG
(CHEMBL1945975)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C22H18N2O7/c1-12(25)13-4-3-5-14(8-13)15-6-7-17(18(9-15)24(29)30)23-22(28)16-10-19(26)21(27)20(11-16)31-2/h3-11,26-27H,1-2H3,(H,23,28)
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n/an/a 9.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363111
PNG
(CHEMBL1945974)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c1-30-18-9-12(8-17(25)19(18)26)20(27)21-13-4-2-10(6-14(13)22(28)29)11-3-5-15(23)16(24)7-11/h2-9,23-26H,1H3,(H,21,27)
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n/an/a 9.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363093
PNG
(CHEMBL1945308)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H26N2O9/c1-31-19-10-15(11-20(32-2)23(19)35-5)14-7-8-17(18(9-14)27(29)30)26-25(28)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-13H,1-6H3,(H,26,28)
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n/an/a 1.12E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363117
PNG
(CHEMBL1945980)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C20H16FNO4/c1-26-18-11-14(10-17(23)19(18)24)20(25)22-16-8-7-13(9-15(16)21)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,22,25)
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n/an/a 1.41E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363106
PNG
(CHEMBL1945514)
Show SMILES COc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N2O7/c1-23-9-3-4-10(11(7-9)17(21)22)16-15(20)8-5-12(18)14(19)13(6-8)24-2/h3-7,18-19H,1-2H3,(H,16,20)
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n/an/a 1.63E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363110
PNG
(CHEMBL1945973)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H14F2N2O6/c1-30-18-8-12(7-17(25)19(18)26)20(27)23-15-3-2-10(6-16(15)24(28)29)11-4-13(21)9-14(22)5-11/h2-9,25-26H,1H3,(H,23,27)
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n/an/a 1.68E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363078
PNG
(CHEMBL1945986)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(O)c(O)c2)cc1OC
Show InChI InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)22(29)16-20)12-6-13-27(3)14-11-19-7-10-23(30-4)24(15-19)31-5/h7-10,15-16,18,28-29H,6,11-14H2,1-5H3
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n/an/a 1.72E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363088
PNG
(CHEMBL1945303)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C20H18N2O6S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(23)21-14-7-6-12(9-15(14)22(24)25)18-5-4-8-29-18/h4-11H,1-3H3,(H,21,23)
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n/an/a 1.73E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363079
PNG
(CHEMBL1944863 | N-(4-bromophenyl)-3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363110
PNG
(CHEMBL1945973)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C20H14F2N2O6/c1-30-18-8-12(7-17(25)19(18)26)20(27)23-15-3-2-10(6-16(15)24(28)29)11-4-13(21)9-14(22)5-11/h2-9,25-26H,1H3,(H,23,27)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363077
PNG
(CHEMBL1945985)
Show SMILES COC1=CC(=CC(=O)C1=O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1 |c:4,t:2|
Show InChI InChI=1S/C20H14N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)
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n/an/a 2.33E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363075
PNG
(CHEMBL1945983)
Show SMILES COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
Show InChI InChI=1S/C20H18N2O5/c1-27-19-10-13(9-18(23)20(19)24)12-21-16-8-7-15(11-17(16)22(25)26)14-5-3-2-4-6-14/h2-11,21,23-24H,12H2,1H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363093
PNG
(CHEMBL1945308)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H26N2O9/c1-31-19-10-15(11-20(32-2)23(19)35-5)14-7-8-17(18(9-14)27(29)30)26-25(28)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-13H,1-6H3,(H,26,28)
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n/an/a 2.43E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363093
PNG
(CHEMBL1945308)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C25H26N2O9/c1-31-19-10-15(11-20(32-2)23(19)35-5)14-7-8-17(18(9-14)27(29)30)26-25(28)16-12-21(33-3)24(36-6)22(13-16)34-4/h7-13H,1-6H3,(H,26,28)
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n/an/a 2.43E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363073
PNG
(CHEMBL1945981)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-13(25)23-18-10-15(14-6-4-3-5-7-14)8-9-17(18)24-22(28)16-11-19(26)21(27)20(12-16)29-2/h3-12,26-27H,1-2H3,(H,23,25)(H,24,28)
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n/an/a 2.80E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363117
PNG
(CHEMBL1945980)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C20H16FNO4/c1-26-18-11-14(10-17(23)19(18)24)20(25)22-16-8-7-13(9-15(16)21)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,22,25)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363108
PNG
(CHEMBL1945516)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C18H14N2O6S/c1-26-15-9-11(8-14(21)17(15)22)18(23)19-12-5-4-10(7-13(12)20(24)25)16-3-2-6-27-16/h2-9,21-22H,1H3,(H,19,23)
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n/an/a 3.12E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363078
PNG
(CHEMBL1945986)
Show SMILES COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(O)c(O)c2)cc1OC
Show InChI InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)22(29)16-20)12-6-13-27(3)14-11-19-7-10-23(30-4)24(15-19)31-5/h7-10,15-16,18,28-29H,6,11-14H2,1-5H3
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n/an/a 3.17E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363108
PNG
(CHEMBL1945516)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C18H14N2O6S/c1-26-15-9-11(8-14(21)17(15)22)18(23)19-12-5-4-10(7-13(12)20(24)25)16-3-2-6-27-16/h2-9,21-22H,1H3,(H,19,23)
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n/an/a 3.22E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363114
PNG
(CHEMBL1945977)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-7-5-12(6-8-15)13-3-2-4-16(9-13)22(26)27/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 3.25E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363095
PNG
(CHEMBL1945310)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc[n+](C)c1
Show InChI InChI=1S/C22H21N3O6/c1-24-9-5-6-15(13-24)14-7-8-17(18(10-14)25(27)28)23-22(26)16-11-19(29-2)21(31-4)20(12-16)30-3/h5-13H,1-4H3/p+1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363116
PNG
(CHEMBL1945979)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1N)-c1ccccc1
Show InChI InChI=1S/C20H18N2O4/c1-26-18-11-14(10-17(23)19(18)24)20(25)22-16-8-7-13(9-15(16)21)12-5-3-2-4-6-12/h2-11,23-24H,21H2,1H3,(H,22,25)
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n/an/a 3.79E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363105
PNG
(CHEMBL1945513)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H11BrN2O6/c1-23-12-5-7(4-11(18)13(12)19)14(20)16-9-3-2-8(15)6-10(9)17(21)22/h2-6,18-19H,1H3,(H,16,20)
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n/an/a 3.84E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363103
PNG
(CHEMBL1945511)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O5/c22-17-9-7-14(11-18(17)23)19(24)20-15-8-6-13(10-16(15)21(25)26)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,24)
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n/an/a 3.88E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363102
PNG
(CHEMBL1945317)
Show SMILES CC(=O)c1cccc(c1)-c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N2O7/c1-11(24)12-3-2-4-13(7-12)14-5-6-16(17(8-14)23(29)30)22-21(28)15-9-18(25)20(27)19(26)10-15/h2-10,25-27H,1H3,(H,22,28)
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n/an/a 3.91E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363107
PNG
(CHEMBL1945515)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-9-13(7-8-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 4.02E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363103
PNG
(CHEMBL1945511)
Show SMILES Oc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O5/c22-17-9-7-14(11-18(17)23)19(24)20-15-8-6-13(10-16(15)21(25)26)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,24)
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n/an/a 4.03E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363114
PNG
(CHEMBL1945977)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-7-5-12(6-8-15)13-3-2-4-16(9-13)22(26)27/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 4.06E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363102
PNG
(CHEMBL1945317)
Show SMILES CC(=O)c1cccc(c1)-c1ccc(NC(=O)c2cc(O)c(O)c(O)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H16N2O7/c1-11(24)12-3-2-4-13(7-12)14-5-6-16(17(8-14)23(29)30)22-21(28)15-9-18(25)20(27)19(26)10-15/h2-10,25-27H,1H3,(H,22,28)
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n/an/a 4.06E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363107
PNG
(CHEMBL1945515)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-9-13(7-8-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 4.40E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363105
PNG
(CHEMBL1945513)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C14H11BrN2O6/c1-23-12-5-7(4-11(18)13(12)19)14(20)16-9-3-2-8(15)6-10(9)17(21)22/h2-6,18-19H,1H3,(H,16,20)
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n/an/a 4.45E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363101
PNG
(CHEMBL1945316)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O6/c22-16-9-13(10-17(23)18(16)24)19(25)20-14-7-6-12(8-15(14)21(26)27)11-4-2-1-3-5-11/h1-10,22-24H,(H,20,25)
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n/an/a 4.58E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363104
PNG
(CHEMBL1945512)
Show SMILES Oc1cc(O)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O5/c22-15-8-14(9-16(23)11-15)19(24)20-17-7-6-13(10-18(17)21(25)26)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,24)
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n/an/a 4.66E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363106
PNG
(CHEMBL1945514)
Show SMILES COc1ccc(NC(=O)c2cc(O)c(O)c(OC)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C15H14N2O7/c1-23-9-3-4-10(11(7-9)17(21)22)16-15(20)8-5-12(18)14(19)13(6-8)24-2/h3-7,18-19H,1-2H3,(H,16,20)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363109
PNG
(CHEMBL1945517)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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n/an/a 6.70E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363104
PNG
(CHEMBL1945512)
Show SMILES Oc1cc(O)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O5/c22-15-8-14(9-16(23)11-15)19(24)20-17-7-6-13(10-18(17)21(25)26)12-4-2-1-3-5-12/h1-11,22-23H,(H,20,24)
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n/an/a 7.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363075
PNG
(CHEMBL1945983)
Show SMILES COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
Show InChI InChI=1S/C20H18N2O5/c1-27-19-10-13(9-18(23)20(19)24)12-21-16-8-7-15(11-17(16)22(25)26)14-5-3-2-4-6-14/h2-11,21,23-24H,12H2,1H3
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n/an/a 7.20E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363113
PNG
(CHEMBL1945976)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cc(O)c(O)c(OC)c1
Show InChI InChI=1S/C21H18N2O9/c1-31-17-8-11(6-15(24)19(17)26)10-3-4-13(14(5-10)23(29)30)22-21(28)12-7-16(25)20(27)18(9-12)32-2/h3-9,24-27H,1-2H3,(H,22,28)
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n/an/a 7.45E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363115
PNG
(CHEMBL1945978)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-25-18-12-15(11-17(22)19(18)23)20(24)21-16-9-7-14(8-10-16)13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,21,24)
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n/an/a 7.58E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363083
PNG
(CHEMBL1944867)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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n/an/a 8.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363074
PNG
(CHEMBL1945982)
Show SMILES COc1ccc(cc1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C20H16N2O5/c1-27-19-10-8-15(12-18(19)23)20(24)21-16-9-7-14(11-17(16)22(25)26)13-5-3-2-4-6-13/h2-12,23H,1H3,(H,21,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363101
PNG
(CHEMBL1945316)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C19H14N2O6/c22-16-9-13(10-17(23)18(16)24)19(25)20-14-7-6-12(8-15(14)21(26)27)11-4-2-1-3-5-11/h1-10,22-24H,(H,20,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363116
PNG
(CHEMBL1945979)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1N)-c1ccccc1
Show InChI InChI=1S/C20H18N2O4/c1-26-18-11-14(10-17(23)19(18)24)20(25)22-16-8-7-13(9-15(16)21)12-5-3-2-4-6-12/h2-11,23-24H,21H2,1H3,(H,22,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363080
PNG
(CHEMBL1944864)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H21NO4/c1-25-19-13-17(14-20(26-2)21(19)27-3)22(24)23-18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363087
PNG
(CHEMBL1945302)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1cc(ccc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-11-15(9-10-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363082
PNG
(CHEMBL1944866)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccccc1
Show InChI InChI=1S/C22H20FNO4/c1-26-19-12-16(13-20(27-2)21(19)28-3)22(25)24-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,24,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363085
PNG
(CHEMBL1944869)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H15BrN2O6/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(20)18-11-5-4-10(17)8-12(11)19(21)22/h4-8H,1-3H3,(H,18,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363076
PNG
(CHEMBL1945984)
Show SMILES COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)21-20(25)15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363083
PNG
(CHEMBL1944867)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363111
PNG
(CHEMBL1945974)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C20H16N2O8/c1-30-18-9-12(8-17(25)19(18)26)20(27)21-13-4-2-10(6-14(13)22(28)29)11-3-5-15(23)16(24)7-11/h2-9,23-26H,1H3,(H,21,27)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363115
PNG
(CHEMBL1945978)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-25-18-12-15(11-17(22)19(18)23)20(24)21-16-9-7-14(8-10-16)13-5-3-2-4-6-13/h2-12,22-23H,1H3,(H,21,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363073
PNG
(CHEMBL1945981)
Show SMILES COc1cc(cc(O)c1O)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
Show InChI InChI=1S/C22H20N2O5/c1-13(25)23-18-10-15(14-6-4-3-5-7-14)8-9-17(18)24-22(28)16-11-19(26)21(27)20(12-16)29-2/h3-12,26-27H,1-2H3,(H,23,25)(H,24,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363085
PNG
(CHEMBL1944869)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C16H15BrN2O6/c1-23-13-6-9(7-14(24-2)15(13)25-3)16(20)18-11-5-4-10(17)8-12(11)19(21)22/h4-8H,1-3H3,(H,18,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363077
PNG
(CHEMBL1945985)
Show SMILES COC1=CC(=CC(=O)C1=O)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1 |c:4,t:2|
Show InChI InChI=1S/C20H14N2O6/c1-28-18-11-14(10-17(23)19(18)24)20(25)21-15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363091
PNG
(CHEMBL1945306)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc2OCOc2c1
Show InChI InChI=1S/C23H20N2O8/c1-29-20-10-15(11-21(30-2)22(20)31-3)23(26)24-16-6-4-13(8-17(16)25(27)28)14-5-7-18-19(9-14)33-12-32-18/h4-11H,12H2,1-3H3,(H,24,26)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363092
PNG
(CHEMBL1945307)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccc(c1)C(C)=O
Show InChI InChI=1S/C24H22N2O7/c1-14(27)15-6-5-7-16(10-15)17-8-9-19(20(11-17)26(29)30)25-24(28)18-12-21(31-2)23(33-4)22(13-18)32-3/h5-13H,1-4H3,(H,25,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363076
PNG
(CHEMBL1945984)
Show SMILES COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(O)c1O
Show InChI InChI=1S/C20H16N2O6/c1-28-18-11-14(10-17(23)19(18)24)21-20(25)15-8-7-13(9-16(15)22(26)27)12-5-3-2-4-6-12/h2-11,23-24H,1H3,(H,21,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363081
PNG
(CHEMBL1944865)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1ccccc1
Show InChI InChI=1S/C22H22N2O4/c1-26-19-12-16(13-20(27-2)21(19)28-3)22(25)24-18-10-9-15(11-17(18)23)14-7-5-4-6-8-14/h4-13H,23H2,1-3H3,(H,24,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363094
PNG
(CHEMBL1945309)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)22(25)23-17-9-7-14(8-10-17)15-5-4-6-18(11-15)24(26)27/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363096
PNG
(CHEMBL1945311)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-27-19-11-9-16(13-20(19)28-2)21(24)22-17-10-8-15(12-18(17)23(25)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363098
PNG
(CHEMBL1945313)
Show SMILES COc1cc(CNc2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C22H22N2O5/c1-27-20-11-15(12-21(28-2)22(20)29-3)14-23-18-10-9-17(13-19(18)24(25)26)16-7-5-4-6-8-16/h4-13,23H,14H2,1-3H3
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363086
PNG
(CHEMBL1945301)
Show SMILES COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O7/c1-23-11-5-6-12(13(9-11)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363084
PNG
(CHEMBL1944868)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(C)=O)-c1ccccc1
Show InChI InChI=1S/C24H24N2O5/c1-15(27)25-20-12-17(16-8-6-5-7-9-16)10-11-19(20)26-24(28)18-13-21(29-2)23(31-4)22(14-18)30-3/h5-14H,1-4H3,(H,25,27)(H,26,28)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363099
PNG
(CHEMBL1945314)
Show SMILES COc1cc(NC(=O)c2ccc(cc2[N+]([O-])=O)-c2ccccc2)cc(OC)c1OC
Show InChI InChI=1S/C22H20N2O6/c1-28-19-12-16(13-20(29-2)21(19)30-3)23-22(25)17-10-9-15(11-18(17)24(26)27)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,25)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363079
PNG
(CHEMBL1944863 | N-(4-bromophenyl)-3,4,5-trimethoxy...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C16H16BrNO4/c1-20-13-8-10(9-14(21-2)15(13)22-3)16(19)18-12-6-4-11(17)5-7-12/h4-9H,1-3H3,(H,18,19)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363088
PNG
(CHEMBL1945303)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1cccs1
Show InChI InChI=1S/C20H18N2O6S/c1-26-16-10-13(11-17(27-2)19(16)28-3)20(23)21-14-7-6-12(9-15(14)22(24)25)18-5-4-8-29-18/h4-11H,1-3H3,(H,21,23)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363097
PNG
(CHEMBL1945312)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccccc1
Show InChI InChI=1S/C21H18N2O5/c1-27-17-10-16(11-18(13-17)28-2)21(24)22-19-9-8-15(12-20(19)23(25)26)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363080
PNG
(CHEMBL1944864)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H21NO4/c1-25-19-13-17(14-20(26-2)21(19)27-3)22(24)23-18-11-9-16(10-12-18)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,24)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50363100
PNG
(CHEMBL1945315)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H9BrN2O6/c14-7-1-2-8(9(5-7)16(21)22)15-13(20)6-3-10(17)12(19)11(18)4-6/h1-5,17-19H,(H,15,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human MDR1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363086
PNG
(CHEMBL1945301)
Show SMILES COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C17H18N2O7/c1-23-11-5-6-12(13(9-11)19(21)22)18-17(20)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,18,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363095
PNG
(CHEMBL1945310)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1[N+]([O-])=O)-c1ccc[n+](C)c1
Show InChI InChI=1S/C22H21N3O6/c1-24-9-5-6-15(13-24)14-7-8-17(18(10-14)25(27)28)23-22(26)16-11-19(29-2)21(31-4)20(12-16)30-3/h5-13H,1-4H3/p+1
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50363100
PNG
(CHEMBL1945315)
Show SMILES Oc1cc(cc(O)c1O)C(=O)Nc1ccc(Br)cc1[N+]([O-])=O
Show InChI InChI=1S/C13H9BrN2O6/c14-7-1-2-8(9(5-7)16(21)22)15-13(20)6-3-10(17)12(19)11(18)4-6/h1-5,17-19H,(H,15,20)
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Universit£ degli Studi di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 expressed in MDCK cells assessed as calcein AM accumulation after 30 mins by fluorescence assay

J Med Chem 55: 424-36 (2012)


Article DOI: 10.1021/jm201305y
BindingDB Entry DOI: 10.7270/Q2HD7W35
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%