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Compile Data Set for Download or QSAR

Found 55 hits of kd for UniProtKB: P08183   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50409816
PNG
(ABAMECTIN)
Show SMILES CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:17,48,56,t:46|
Show InChI InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1
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n/an/an/a 11n/an/an/an/an/a



Institute of Parasitology of McGill University

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: binding in plasma membranes from CEM/VLB1.0 cells

Biochem Pharmacol 53: 17-25 (1997)


Article DOI: 10.1016/s0006-2952(96)00656-9
BindingDB Entry DOI: 10.7270/Q2RV0RKS
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423806
PNG
(CHEMBL1822225)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])c(\[#6]=[#6](/[#6])-[#6])c2oc(cc(=O)c2c1-[#8])-c1ccccc1
Show InChI InChI=1S/C23H22O4/c1-13(2)10-16-21(25)17(11-14(3)4)23-20(22(16)26)18(24)12-19(27-23)15-8-6-5-7-9-15/h5-12,25-26H,1-4H3
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n/an/an/a 15n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423808
PNG
(CHEMBL1822227)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccccc1 |w:8.8|
Show InChI InChI=1S/C24H24O4/c1-15(2)8-7-9-16(3)12-18-19(25)13-20(26)23-21(27)14-22(28-24(18)23)17-10-5-4-6-11-17/h4-6,8,10-14,25-26H,7,9H2,1-3H3
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n/an/an/a 25n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423817
PNG
(CHEMBL165950)
Show SMILES CC(C)Oc1c(C(C)C)c(O)c2c(oc(cc2=O)-c2ccccc2)c1C(C)C
Show InChI InChI=1S/C24H28O4/c1-13(2)19-22(26)21-17(25)12-18(16-10-8-7-9-11-16)28-24(21)20(14(3)4)23(19)27-15(5)6/h7-15,26H,1-6H3
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n/an/an/a 33n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423801
PNG
(CHEMBL164699)
Show SMILES Oc1c(Cc2ccccc2)c(O)c2c(oc(cc2=O)-c2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C29H22O4/c30-24-18-25(21-14-8-3-9-15-21)33-29-23(17-20-12-6-2-7-13-20)27(31)22(28(32)26(24)29)16-19-10-4-1-5-11-19/h1-15,18,31-32H,16-17H2
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n/an/an/a 36n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423807
PNG
(CHEMBL1822226)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](-[#6])=[#6]-c1c(-[#8])cc2oc(cc(=O)c2c1-[#8])-c1ccccc1 |w:8.8|
Show InChI InChI=1S/C24H24O4/c1-15(2)8-7-9-16(3)12-18-19(25)13-22-23(24(18)27)20(26)14-21(28-22)17-10-5-4-6-11-17/h4-6,8,10-14,25,27H,7,9H2,1-3H3
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n/an/an/a 45n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50095341
PNG
(3,5,7-Trihydroxy-2-(4-octyl-phenyl)-chromen-4-one ...)
Show SMILES CCCCCCCCc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C23H26O5/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)23-22(27)21(26)20-18(25)13-17(24)14-19(20)28-23/h9-14,24-25,27H,2-8H2,1H3
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n/an/an/a 58n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423802
PNG
(CHEMBL165418)
Show SMILES Oc1cc(OCc2ccccc2)cc2oc(cc(=O)c12)-c1ccccc1
Show InChI InChI=1S/C22H16O4/c23-18-11-17(25-14-15-7-3-1-4-8-15)12-21-22(18)19(24)13-20(26-21)16-9-5-2-6-10-16/h1-13,23H,14H2
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n/an/an/a 68n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50420186
PNG
(ZOSUQUIDAR | ZOSUQUIDAR TRIHYDROCHLORIDE)
Show SMILES O[C@@H](COc1cccc2ncccc12)CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3ccccc13)C2(F)F |r|
Show InChI InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1
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n/an/an/a 73n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: binding in membrane vesicle from CEM/VLB100 cells

J Pharmacol Exp Ther 290: 854-62 (1999)


BindingDB Entry DOI: 10.7270/Q2G1623R
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423815
PNG
(CHEMBL1822217)
Show SMILES COc1cc(O)c2c(oc(-c3ccccc3)c(OC)c2=O)c1C(C)(C)C=C
Show InChI InChI=1S/C22H22O5/c1-6-22(2,3)17-15(25-4)12-14(23)16-18(24)21(26-5)19(27-20(16)17)13-10-8-7-9-11-13/h6-12,23H,1H2,2-5H3
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n/an/an/a 151n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423816
PNG
(CHEMBL193777)
Show SMILES COc1ccc(cc1)-c1oc2c(c(O)cc(O)c2c(=O)c1O)C(C)(C)C=C
Show InChI InChI=1S/C21H20O6/c1-5-21(2,3)16-14(23)10-13(22)15-17(24)18(25)19(27-20(15)16)11-6-8-12(26-4)9-7-11/h5-10,22-23,25H,1H2,2-4H3
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n/an/an/a 200n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423804
PNG
(CHEMBL191602)
Show SMILES CC(C)(C=C)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C20H18O4/c1-4-20(2,3)18-15(23)10-13(21)17-14(22)11-16(24-19(17)18)12-8-6-5-7-9-12/h4-11,21,23H,1H2,2-3H3
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n/an/an/a 200n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423797
PNG
(CHEMBL164060)
Show SMILES CC(C)c1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-10(2)16-12(19)9-15-17(18(16)21)13(20)8-14(22-15)11-6-4-3-5-7-11/h3-10,19,21H,1-2H3
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n/an/an/a 209n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423811
PNG
(CHEMBL1822218)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])cc2oc(-c3ccccc3)c(-[#8])c(=O)c2c1-[#8]
Show InChI InChI=1S/C19H16O5/c1-10(2)8-12-13(20)9-14-15(16(12)21)17(22)18(23)19(24-14)11-6-4-3-5-7-11/h3-9,20-21,23H,1-2H3
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n/an/an/a 209n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423812
PNG
(CHEMBL1822219)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])cc(-[#8])c2c1oc(-c1ccccc1)c(-[#8])c2=O
Show InChI InChI=1S/C19H16O5/c1-10(2)8-12-13(20)9-14(21)15-16(22)17(23)18(24-19(12)15)11-6-4-3-5-7-11/h3-9,20-21,23H,1-2H3
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n/an/an/a 219n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423798
PNG
(CHEMBL166131)
Show SMILES CC(C)Oc1cc2oc(cc(=O)c2c(O)c1C(C)C)-c1ccccc1
Show InChI InChI=1S/C21H22O4/c1-12(2)19-17(24-13(3)4)11-18-20(21(19)23)15(22)10-16(25-18)14-8-6-5-7-9-14/h5-13,23H,1-4H3
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n/an/an/a 282n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423805
PNG
(CHEMBL1822224)
Show SMILES [#6]\[#6](-[#6])=[#6]/c1c(-[#8])cc(-[#8])c2c1oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-11(2)8-13-14(20)9-15(21)18-16(22)10-17(23-19(13)18)12-6-4-3-5-7-12/h3-10,20-21H,1-2H3
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n/an/an/a 282n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423803
PNG
(CHEMBL1822223)
Show SMILES [#6]\[#6](-[#6])=[#6]\c1c(-[#8])cc2oc(cc(=O)c2c1-[#8])-c1ccccc1
Show InChI InChI=1S/C19H16O4/c1-11(2)8-13-14(20)9-17-18(19(13)22)15(21)10-16(23-17)12-6-4-3-5-7-12/h3-10,20,22H,1-2H3
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Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423799
PNG
(CHEMBL165452)
Show SMILES Oc1cc2oc(cc(=O)c2c(O)c1Cc1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H16O4/c23-17-12-20-21(22(25)16(17)11-14-7-3-1-4-8-14)18(24)13-19(26-20)15-9-5-2-6-10-15/h1-10,12-13,23,25H,11H2
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n/an/an/a 339n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423810
PNG
(CHEMBL189433)
Show SMILES CC(C)(C=C)c1c(O)cc(O)c2c1oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C20H18O5/c1-4-20(2,3)15-13(22)10-12(21)14-16(23)17(24)18(25-19(14)15)11-8-6-5-7-9-11/h4-10,21-22,24H,1H2,2-3H3
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n/an/an/a 447n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423809
PNG
(CHEMBL1822228)
Show SMILES CC(C)(C=C)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccc(O)cc1
Show InChI InChI=1S/C20H18O5/c1-4-20(2,3)18-15(24)9-13(22)17-14(23)10-16(25-19(17)18)11-5-7-12(21)8-6-11/h4-10,21-22,24H,1H2,2-3H3
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n/an/an/a 708n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423800
PNG
(CHEMBL165621)
Show SMILES Oc1cc(O)c2c(oc(cc2=O)-c2ccccc2)c1Cc1ccccc1
Show InChI InChI=1S/C22H16O4/c23-17-12-18(24)21-19(25)13-20(15-9-5-2-6-10-15)26-22(21)16(17)11-14-7-3-1-4-8-14/h1-10,12-13,23-24H,11H2
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n/an/an/a 1.00E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423796
PNG
(CHEMBL165408)
Show SMILES CC(C)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C18H16O4/c1-11(2)21-13-8-14(19)18-15(20)10-16(22-17(18)9-13)12-6-4-3-5-7-12/h3-11,19H,1-2H3
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n/an/an/a 1.00E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50095339
PNG
(3,5,7-Trihydroxy-2-(4-iodo-phenyl)-chromen-4-one |...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(I)cc1
Show InChI InChI=1S/C15H9IO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
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n/an/an/a 1.10E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50338977
PNG
(5-Hydroxy-6-methyl-7-methoxy-flavone | 5-Hydroxy-7...)
Show SMILES COc1cc2oc(cc(=O)c2c(O)c1C)-c1ccccc1
Show InChI InChI=1S/C17H14O4/c1-10-13(20-2)9-15-16(17(10)19)12(18)8-14(21-15)11-6-4-3-5-7-11/h3-9,19H,1-2H3
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n/an/an/a 1.29E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423813
PNG
(CHEMBL1822220)
Show SMILES Oc1cc2oc(C(c3ccccc3)c3ccccc3)c(O)c(O)c2c(=O)c1
Show InChI InChI=1S/C22H16O5/c23-15-11-16(24)19-17(12-15)27-22(21(26)20(19)25)18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,18,23,25-26H
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n/an/an/a 2.00E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423795
PNG
(CHEMBL1822222)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(I)cc1
Show InChI InChI=1S/C15H9IO4/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,17-18H
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n/an/an/a 2.19E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50012278
PNG
((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...)
Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48|
Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1
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n/an/an/a 3.00E+3n/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: binding in membrane vesicle from CEM/VLB100 cells

J Pharmacol Exp Ther 290: 854-62 (1999)


BindingDB Entry DOI: 10.7270/Q2G1623R
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423792
PNG
(CHEMBL163960)
Show SMILES Cc1c(O)cc2oc(cc(=O)c2c1O)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-8,17,19H,1H3
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n/an/an/a 3.09E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50095342
PNG
(2-(2,4-Dichloro-phenyl)-3,5,7-trihydroxy-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(Cl)cc1Cl
Show InChI InChI=1S/C15H8Cl2O5/c16-6-1-2-8(9(17)3-6)15-14(21)13(20)12-10(19)4-7(18)5-11(12)22-15/h1-5,18-19,21H
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n/an/an/a 3.98E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50084978
PNG
(3,5,7-trihydroxy-2-(4-methoxyphenyl)-4H-chromen-4-...)
Show SMILES COc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C16H12O6/c1-21-10-4-2-8(3-5-10)16-15(20)14(19)13-11(18)6-9(17)7-12(13)22-16/h2-7,17-18,20H,1H3
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n/an/an/a 4.47E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50049391
PNG
(3,5,7-Trihydroxyflavone | 3,5,7-triOH-flavone | 3,...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O
Show InChI InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H
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n/an/an/a 5.89E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423794
PNG
(CHEMBL1821732)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C15H8F2O4/c16-9-2-1-7(3-10(9)17)13-6-12(20)15-11(19)4-8(18)5-14(15)21-13/h1-6,18-19H
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n/an/an/a 6.31E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423793
PNG
(NSC-80687 | TECHTOCHRYSIN)
Show SMILES COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
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n/an/an/a 6.31E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7462
PNG
(3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-...)
Show SMILES Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
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n/an/an/a 6.76E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50095340
PNG
(2-(4-Fluoro-phenyl)-3,5,7-trihydroxy-chromen-4-one...)
Show SMILES Oc1cc(O)c2c(c1)oc(c(O)c2=O)-c1ccc(F)cc1
Show InChI InChI=1S/C15H9FO5/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,17-18,20H
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n/an/an/a 6.76E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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n/an/an/a 7.08E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50423814
PNG
(CHEMBL1822221)
Show SMILES COc1c(oc2cc(O)cc(O)c2c1=O)-c1ccccc1
Show InChI InChI=1S/C16H12O5/c1-20-16-14(19)13-11(18)7-10(17)8-12(13)21-15(16)9-5-3-2-4-6-9/h2-8,17-18H,1H3
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n/an/an/a 8.91E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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n/an/an/a 8.91E+3n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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n/an/an/a 1.00E+4n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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n/an/an/a 1.00E+4n/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Binding affinity to ABCB1 nucleotide binding domain 2

Eur J Med Chem 46: 4078-88 (2011)


Article DOI: 10.1016/j.ejmech.2011.06.008
BindingDB Entry DOI: 10.7270/Q2FJ2J3W
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514163
PNG
(CHEMBL4568985)
Show SMILES COc1cc(NC(=O)CSCC(=O)Nc2cc(nn2-c2ccccc2)-c2cc(C)c(C)cc2C)cc(OC)c1OC
Show InChI InChI=1S/C31H34N4O5S/c1-19-12-21(3)24(13-20(19)2)25-16-28(35(34-25)23-10-8-7-9-11-23)33-30(37)18-41-17-29(36)32-22-14-26(38-4)31(40-6)27(15-22)39-5/h7-16H,17-18H2,1-6H3,(H,32,36)(H,33,37)
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n/an/an/a 2.01E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514155
PNG
(CHEMBL4553676)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NC(c2ccccc2)c2ccccc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C35H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-32(39(38-31)29-17-11-6-12-18-29)36-33(40)22-42-23-34(41)37-35(27-13-7-4-8-14-27)28-15-9-5-10-16-28/h4-21,35H,22-23H2,1-3H3,(H,36,40)(H,37,41)
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n/an/an/a 2.16E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514161
PNG
(CHEMBL4469705)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C32H30N4O2S/c1-21-15-23(3)28(16-22(21)2)29-18-30(36(35-29)27-11-5-4-6-12-27)34-32(38)20-39-19-31(37)33-26-14-13-24-9-7-8-10-25(24)17-26/h4-18H,19-20H2,1-3H3,(H,33,37)(H,34,38)
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n/an/an/a 2.22E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514162
PNG
(CHEMBL4446420)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)
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n/an/an/a 2.28E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514157
PNG
(CHEMBL4552725)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NC23CC4CC(CC(C4)C2)C3)n(n1)-c1ccccc1 |TLB:20:21:24:28.26.27,THB:26:25:22:28.27.29,26:27:24.25.30:22,29:27:24:30.21.22,29:21:24:28.26.27|
Show InChI InChI=1S/C32H38N4O2S/c1-20-9-22(3)27(10-21(20)2)28-14-29(36(35-28)26-7-5-4-6-8-26)33-30(37)18-39-19-31(38)34-32-15-23-11-24(16-32)13-25(12-23)17-32/h4-10,14,23-25H,11-13,15-19H2,1-3H3,(H,33,37)(H,34,38)
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n/an/an/a 2.29E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514159
PNG
(CHEMBL4476464)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)c2ccc-3c(Cc4ccccc-34)c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C35H31N3O2S/c1-22-15-24(3)31(16-23(22)2)32-19-34(38(37-32)28-10-5-4-6-11-28)36-35(40)21-41-20-33(39)26-13-14-30-27(18-26)17-25-9-7-8-12-29(25)30/h4-16,18-19H,17,20-21H2,1-3H3,(H,36,40)
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n/an/an/a 2.31E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514164
PNG
(CHEMBL4437065)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc32)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H25N7OS/c1-17-13-19(3)22(14-18(17)2)24-15-25(36(35-24)20-9-5-4-6-10-20)31-26(37)16-38-29-32-28-27(33-34-29)21-11-7-8-12-23(21)30-28/h4-15H,16H2,1-3H3,(H,31,37)(H,30,32,34)
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n/an/an/a 2.41E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514158
PNG
(CHEMBL4526913)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)Nc2ccc3ncsc3c2)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H27N5O2S2/c1-18-11-20(3)23(12-19(18)2)25-14-27(34(33-25)22-7-5-4-6-8-22)32-29(36)16-37-15-28(35)31-21-9-10-24-26(13-21)38-17-30-24/h4-14,17H,15-16H2,1-3H3,(H,31,35)(H,32,36)
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n/an/an/a 2.56E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
ATP-dependent translocase ABCB1


(Homo sapiens (Human))		BDBM50514165
PNG
(CHEMBL4438522)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)NCc2ccc(F)cc2)n(n1)-c1ccccc1
Show InChI InChI=1S/C29H29FN4O2S/c1-19-13-21(3)25(14-20(19)2)26-15-27(34(33-26)24-7-5-4-6-8-24)32-29(36)18-37-17-28(35)31-16-22-9-11-23(30)12-10-22/h4-15H,16-18H2,1-3H3,(H,31,35)(H,32,36)
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n/an/an/a 2.57E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of spin-labelled adenine nucleotide interaction with human P-gp expressed in Escherichia coli BL21 (DE3) assessed as apparent dissociation...

J Med Chem 62: 10645-10663 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00966
BindingDB Entry DOI: 10.7270/Q27084RB
More data for this
Ligand-Target Pair
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