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Compile Data Set for Download or QSAR

Found 92 hits with Last Name = 'azzariti' and Initial = 'a'   
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
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28681
PNG
(5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...)
Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1
Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)
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 74n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...

J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28762
PNG
((2R)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m1/s1
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 88n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...

J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma


(Homo sapiens (Human))		BDBM28763
PNG
((2S)-2-(4-{2-[1,3-benzoxazol-2-yl(heptyl)amino]eth...)
Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)c1nc2ccccc2o1 |r|
Show InChI InChI=1S/C27H36N2O4/c1-4-6-7-8-11-19-29(26-28-23-12-9-10-13-24(23)32-26)20-18-21-14-16-22(17-15-21)33-27(3,5-2)25(30)31/h9-10,12-17H,4-8,11,18-20H2,1-3H3,(H,30,31)/t27-/m0/s1
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 971n/an/an/an/an/an/an/an/a



Istituto Tumori"Giovanni Paolo II"

Curated by ChEMBL


Assay Description
Displacement of [3H]rosiglitazone from N-terminal His-tagged human PPARgamma ligand binding domain expressed in Escherichia coli BL21 DE3 cells by sc...

J Med Chem 55: 37-54 (2012)


Article DOI: 10.1021/jm201306q
BindingDB Entry DOI: 10.7270/Q23N24JP
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056297
PNG
(CHEMBL3317923)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-20(28-3)19(27-2)10-15(18)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056308
PNG
(CHEMBL3317932)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
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n/an/a 310n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056295
PNG
(CHEMBL3317921)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 540n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056298
PNG
(CHEMBL3317924)
Show SMILES COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-9-7-15(19(27-2)20(18)28-3)21(25)24-17-8-6-13(11-16(17)22)14-5-4-10-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 670n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056293
PNG
(CHEMBL3317919)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)
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n/an/a 970n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50374731
PNG
(CHEMBL260599)
Show SMILES COc1cc2CCN(CC\C=C3/CCCc4c(OC)cccc34)Cc2cc1OC
Show InChI InChI=1S/C25H31NO3/c1-27-23-11-5-9-21-18(7-4-10-22(21)23)8-6-13-26-14-12-19-15-24(28-2)25(29-3)16-20(19)17-26/h5,8-9,11,15-16H,4,6-7,10,12-14,17H2,1-3H3/b18-8+
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n/an/a 1.02E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056309
PNG
(CHEMBL3317933)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(F)c1
Show InChI InChI=1S/C23H22FNO5/c1-27-16-8-5-14(6-9-16)15-7-10-19(18(24)11-15)25-23(26)17-12-21(29-3)22(30-4)13-20(17)28-2/h5-13H,1-4H3,(H,25,26)
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n/an/a 1.23E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056292
PNG
(CHEMBL3317918)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-8-14(9-18(28-2)20(17)29-3)21(26)25-19-5-4-12(11-24-19)13-6-15(22)10-16(23)7-13/h4-11H,1-3H3,(H,24,25,26)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056307
PNG
(CHEMBL3317931)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-15(12-19(27-2)20(18)28-3)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
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n/an/a 2.20E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056311
PNG
(CHEMBL3317935)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H20F2N2O4/c1-28-19-9-14(10-20(29-2)21(19)30-3)22(27)26-18-5-4-12(8-17(18)25)13-6-15(23)11-16(24)7-13/h4-11H,25H2,1-3H3,(H,26,27)
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n/an/a 2.76E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056300
PNG
(CHEMBL3317925)
Show SMILES COc1cc(OC)c(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1
Show InChI InChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 2.93E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056307
PNG
(CHEMBL3317931)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-15(12-19(27-2)20(18)28-3)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056303
PNG
(CHEMBL3317927)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O3/c1-25-16-8-15(9-17(11-16)26-2)20(24)23-19-6-5-13(10-18(19)21)14-4-3-7-22-12-14/h3-12H,1-2H3,(H,23,24)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056297
PNG
(CHEMBL3317923)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-11-20(28-3)19(27-2)10-15(18)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
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 3.50E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056296
PNG
(CHEMBL3317922)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 4.28E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056296
PNG
(CHEMBL3317922)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-10-15(11-19(27-2)20(18)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a 4.34E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056304
PNG
(CHEMBL3317928)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C19H15FN2O2/c1-24-16-7-4-13(5-8-16)19(23)22-18-9-6-14(11-17(18)20)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,23)
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n/an/a 5.26E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056292
PNG
(CHEMBL3317918)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-8-14(9-18(28-2)20(17)29-3)21(26)25-19-5-4-12(11-24-19)13-6-15(22)10-16(23)7-13/h4-11H,1-3H3,(H,24,25,26)
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n/an/a 5.80E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056295
PNG
(CHEMBL3317921)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C20H19N3O4/c1-25-16-10-18(27-3)17(26-2)9-15(16)20(24)23-19-7-6-14(12-22-19)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 6.26E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056313
PNG
(CHEMBL3317937)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3
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n/an/a 6.66E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056313
PNG
(CHEMBL3317937)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-19(27-2)21(29-4)20(12-16)28-3/h5-13H,1-4H3
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n/an/a 8.13E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056294
PNG
(CHEMBL3317920)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C20H19N3O4/c1-25-16-9-15(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(12-22-18)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 8.21E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056301
PNG
(CHEMBL3317926)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O3/c1-25-18-8-6-14(11-19(18)26-2)20(24)23-17-7-5-13(10-16(17)21)15-4-3-9-22-12-15/h3-12H,1-2H3,(H,23,24)
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n/an/a 8.92E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056305
PNG
(CHEMBL3317929)
Show SMILES Fc1cc(ccc1NC(=O)c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13FN2O/c19-16-11-14(15-7-4-10-20-12-15)8-9-17(16)21-18(22)13-5-2-1-3-6-13/h1-12H,(H,21,22)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056312
PNG
(CHEMBL3317936)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(=O)[C@@H](C)NC(C)=O)-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H27F2N3O6/c1-14(30-15(2)33)26(34)32-22-10-16(17-8-19(28)13-20(29)9-17)6-7-21(22)31-27(35)18-11-23(36-3)25(38-5)24(12-18)37-4/h6-14H,1-5H3,(H,30,33)(H,31,35)(H,32,34)/t14-/m1/s1
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n/an/a 1.11E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056294
PNG
(CHEMBL3317920)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cn1)-c1cccnc1
Show InChI InChI=1S/C20H19N3O4/c1-25-16-9-15(10-17(26-2)19(16)27-3)20(24)23-18-7-6-14(12-22-18)13-5-4-8-21-11-13/h4-12H,1-3H3,(H,22,23,24)
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n/an/a 1.36E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056311
PNG
(CHEMBL3317935)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1N)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C22H20F2N2O4/c1-28-19-9-14(10-20(29-2)21(19)30-3)22(27)26-18-5-4-12(8-17(18)25)13-6-15(23)11-16(24)7-13/h4-11H,25H2,1-3H3,(H,26,27)
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n/an/a 1.58E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056312
PNG
(CHEMBL3317936)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1ccc(cc1NC(=O)[C@@H](C)NC(C)=O)-c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C27H27F2N3O6/c1-14(30-15(2)33)26(34)32-22-10-16(17-8-19(28)13-20(29)9-17)6-7-21(22)31-27(35)18-11-23(36-3)25(38-5)24(12-18)37-4/h6-14H,1-5H3,(H,30,33)(H,31,35)(H,32,34)/t14-/m1/s1
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n/an/a 1.85E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056314
PNG
(CHEMBL3317938)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-20(28-3)21(29-4)12-19(16)27-2/h5-13H,1-4H3
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n/an/a 2.16E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056314
PNG
(CHEMBL3317938)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)N(C)c1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C22H21FN2O4/c1-25(18-8-7-14(10-17(18)23)15-6-5-9-24-13-15)22(26)16-11-20(28-3)21(29-4)12-19(16)27-2/h5-13H,1-4H3
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n/an/a 2.36E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056306
PNG
(CHEMBL3317930)
Show SMILES Fc1cc(ccc1NC(=O)c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C17H12FN3O/c18-15-9-12(13-3-1-7-19-10-13)5-6-16(15)21-17(22)14-4-2-8-20-11-14/h1-11H,(H,21,22)
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n/an/a 6.01E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50056310
PNG
(CHEMBL3317934)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C19H17FN2O4S/c1-25-18-8-6-15(11-19(18)26-2)27(23,24)22-17-7-5-13(10-16(17)20)14-4-3-9-21-12-14/h3-12,22H,1-2H3
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n/an/a 6.75E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MDR1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056310
PNG
(CHEMBL3317934)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C19H17FN2O4S/c1-25-18-8-6-15(11-19(18)26-2)27(23,24)22-17-7-5-13(10-16(17)20)14-4-3-9-21-12-14/h3-12,22H,1-2H3
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n/an/a 9.45E+4n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056309
PNG
(CHEMBL3317933)
Show SMILES COc1ccc(cc1)-c1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(F)c1
Show InChI InChI=1S/C23H22FNO5/c1-27-16-8-5-14(6-9-16)15-7-10-19(18(24)11-15)25-23(26)17-12-21(29-3)22(30-4)13-20(17)28-2/h5-13H,1-4H3,(H,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056304
PNG
(CHEMBL3317928)
Show SMILES COc1ccc(cc1)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C19H15FN2O2/c1-24-16-7-4-13(5-8-16)19(23)22-18-9-6-14(11-17(18)20)15-3-2-10-21-12-15/h2-12H,1H3,(H,22,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056306
PNG
(CHEMBL3317930)
Show SMILES Fc1cc(ccc1NC(=O)c1cccnc1)-c1cccnc1
Show InChI InChI=1S/C17H12FN3O/c18-15-9-12(13-3-1-7-19-10-13)5-6-16(15)21-17(22)14-4-2-8-20-11-14/h1-11H,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056301
PNG
(CHEMBL3317926)
Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O3/c1-25-18-8-6-14(11-19(18)26-2)20(24)23-17-7-5-13(10-16(17)21)15-4-3-9-22-12-15/h3-12H,1-2H3,(H,23,24)
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Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056300
PNG
(CHEMBL3317925)
Show SMILES COc1cc(OC)c(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1
Show InChI InChI=1S/C21H19FN2O4/c1-26-15-10-18(27-2)20(19(11-15)28-3)21(25)24-17-7-6-13(9-16(17)22)14-5-4-8-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056298
PNG
(CHEMBL3317924)
Show SMILES COc1ccc(C(=O)Nc2ccc(cc2F)-c2cccnc2)c(OC)c1OC
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-9-7-15(19(27-2)20(18)28-3)21(25)24-17-8-6-13(11-16(17)22)14-5-4-10-23-12-14/h4-12H,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056293
PNG
(CHEMBL3317919)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cn1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C21H18F2N2O4/c1-27-17-10-19(29-3)18(28-2)9-16(17)21(26)25-20-5-4-12(11-24-20)13-6-14(22)8-15(23)7-13/h4-11H,1-3H3,(H,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056308
PNG
(CHEMBL3317932)
Show SMILES COc1cc(OC)c(cc1OC)C(=O)Nc1ccc(cc1F)-c1ccncc1
Show InChI InChI=1S/C21H19FN2O4/c1-26-18-12-20(28-3)19(27-2)11-15(18)21(25)24-17-5-4-14(10-16(17)22)13-6-8-23-9-7-13/h4-12H,1-3H3,(H,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056305
PNG
(CHEMBL3317929)
Show SMILES Fc1cc(ccc1NC(=O)c1ccccc1)-c1cccnc1
Show InChI InChI=1S/C18H13FN2O/c19-16-11-14(15-7-4-10-20-12-15)8-9-17(16)21-18(22)13-5-2-1-3-6-13/h1-12H,(H,21,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 1


(Homo sapiens (Human))		BDBM50056303
PNG
(CHEMBL3317927)
Show SMILES COc1cc(OC)cc(c1)C(=O)Nc1ccc(cc1F)-c1cccnc1
Show InChI InChI=1S/C20H17FN2O3/c1-25-16-8-15(9-17(11-16)26-2)20(24)23-19-6-5-13(10-18(19)21)14-4-3-7-22-12-14/h3-12H,1-2H3,(H,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universit£ di Bari"Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of MRP1 (unknown origin) expressed in MDCK cells after 30 mins by Calcein-AM assay

J Med Chem 57: 6403-18 (2014)


Article DOI: 10.1021/jm500697c
BindingDB Entry DOI: 10.7270/Q2G162GP
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50338982
PNG
((R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3...)
Show SMILES COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC |r|
Show InChI InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m1/s1
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n/an/an/an/a 2.00E+4n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells

Bioorg Med Chem 16: 362-73 (2008)


Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50374720
PNG
(CHEMBL259366)
Show SMILES COc1cc2CCN(CCCC3CCCc4cc(OC)c(OC)cc34)Cc2cc1OC |w:11.10|
Show InChI InChI=1S/C26H35NO4/c1-28-23-13-19-10-12-27(17-21(19)15-25(23)30-3)11-6-9-18-7-5-8-20-14-24(29-2)26(31-4)16-22(18)20/h13-16,18H,5-12,17H2,1-4H3
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n/an/an/an/a 1.79E+4n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells

Bioorg Med Chem 16: 362-73 (2008)


Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50374721
PNG
(CHEMBL261802)
Show SMILES COc1cc2CCN(CCCC3=CCCc4cc(OC)c(OC)cc34)Cc2cc1OC |t:11|
Show InChI InChI=1S/C26H33NO4/c1-28-23-13-19-10-12-27(17-21(19)15-25(23)30-3)11-6-9-18-7-5-8-20-14-24(29-2)26(31-4)16-22(18)20/h7,13-16H,5-6,8-12,17H2,1-4H3
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n/an/an/an/a 3.16E+4n/an/an/an/a



Universit£ degli Studi di Bari

Curated by ChEMBL


Assay Description
Inhibition of human Pgp mediated [3H]vinblastine transport in human Caco-2 cells

Bioorg Med Chem 16: 362-73 (2008)


Article DOI: 10.1016/j.bmc.2007.09.039
BindingDB Entry DOI: 10.7270/Q2ST7QQS
More data for this
Ligand-Target Pair
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