Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50008067   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515423 (CHEMBL4568020) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)-[#7]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32N2O4/c1-18(2)8-10-21-23(31-3)17-24(32-4)25(26(21)30)22(29)11-9-19-6-5-7-20(16-19)28-14-12-27-13-15-28/h5-9,11,16-17,27,30H,10,12-15H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515424 (CHEMBL4465191) Show SMILES COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)c1 Show InChI InChI=1S/C21H24N2O4/c1-26-17-13-19(25)21(20(14-17)27-2)18(24)7-6-15-4-3-5-16(12-15)23-10-8-22-9-11-23/h3-7,12-14,22,25H,8-11H2,1-2H3/b7-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515416 (CHEMBL4539310) Show SMILES CCCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC Show InChI InChI=1S/C25H32N2O4/c1-4-5-9-20-22(30-2)17-23(31-3)24(25(20)29)21(28)11-10-18-7-6-8-19(16-18)27-14-12-26-13-15-27/h6-8,10-11,16-17,26,29H,4-5,9,12-15H2,1-3H3/b11-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515397 (CHEMBL4456657) Show SMILES COc1cc(OC)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(O)c1C Show InChI InChI=1S/C22H26N2O4/c1-15-19(27-2)14-20(28-3)21(22(15)26)18(25)8-7-16-5-4-6-17(13-16)24-11-9-23-10-12-24/h4-8,13-14,23,26H,9-12H2,1-3H3/b8-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515415 (CHEMBL4462087) Show SMILES CCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC Show InChI InChI=1S/C23H28N2O4/c1-4-18-20(28-2)15-21(29-3)22(23(18)27)19(26)9-8-16-6-5-7-17(14-16)25-12-10-24-11-13-25/h5-9,14-15,24,27H,4,10-13H2,1-3H3/b9-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515414 (CHEMBL4435080) Show SMILES COc1ccc(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)c1 Show InChI InChI=1S/C21H24N2O3/c1-25-18-7-8-19(21(15-18)26-2)20(24)9-6-16-4-3-5-17(14-16)23-12-10-22-11-13-23/h3-9,14-15,22H,10-13H2,1-2H3/b9-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515426 (CHEMBL4550044) Show SMILES CCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC Show InChI InChI=1S/C24H30N2O4/c1-4-6-19-21(29-2)16-22(30-3)23(24(19)28)20(27)10-9-17-7-5-8-18(15-17)26-13-11-25-12-14-26/h5,7-10,15-16,25,28H,4,6,11-14H2,1-3H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515403 (CHEMBL4468988) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)C(F)(F)F)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C23H23F3O4/c1-14(2)8-10-17-19(29-3)13-20(30-4)21(22(17)28)18(27)11-9-15-6-5-7-16(12-15)23(24,25)26/h5-9,11-13,28H,10H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515420 (CHEMBL4449801) Show SMILES [#6]-[#8]-c1cccc(\[#6]=[#6]\[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])cc2-[#8]-[#6])c1 Show InChI InChI=1S/C23H26O5/c1-15(2)9-11-18-20(27-4)14-21(28-5)22(23(18)25)19(24)12-10-16-7-6-8-17(13-16)26-3/h6-10,12-14,25H,11H2,1-5H3/b12-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515395 (CHEMBL4464596) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)-[#7+](-[#8-])=O)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H23NO6/c1-14(2)8-10-17-19(28-3)13-20(29-4)21(22(17)25)18(24)11-9-15-6-5-7-16(12-15)23(26)27/h5-9,11-13,25H,10H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515421 (CHEMBL4456141) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(Cl)c2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H23ClO4/c1-14(2)8-10-17-19(26-3)13-20(27-4)21(22(17)25)18(24)11-9-15-6-5-7-16(23)12-15/h5-9,11-13,25H,10H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM81939 (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	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515402 (CHEMBL4468201) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(F)c2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H23FO4/c1-14(2)8-10-17-19(26-3)13-20(27-4)21(22(17)25)18(24)11-9-15-6-5-7-16(23)12-15/h5-9,11-13,25H,10H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515409 (CHEMBL4468487) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7]-[#6]-[#6]-2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H32N2O4/c1-18(2)5-11-21-23(31-3)17-24(32-4)25(26(21)30)22(29)12-8-19-6-9-20(10-7-19)28-15-13-27-14-16-28/h5-10,12,17,27,30H,11,13-16H2,1-4H3/b12-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515412 (CHEMBL4586077) Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)N2CCNCC2)c(OC)c1 Show InChI InChI=1S/C21H24N2O4/c1-26-17-13-19(25)21(20(14-17)27-2)18(24)8-5-15-3-6-16(7-4-15)23-11-9-22-10-12-23/h3-8,13-14,22,25H,9-12H2,1-2H3/b8-5+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515401 (CHEMBL4468803) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#7](-[#6])-[#6])c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C24H29NO4/c1-16(2)7-13-19-21(28-5)15-22(29-6)23(24(19)27)20(26)14-10-17-8-11-18(12-9-17)25(3)4/h7-12,14-15,27H,13H2,1-6H3/b14-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515422 (CHEMBL4584156) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(F)cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H23FO4/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,25H,11H2,1-4H3/b12-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515410 (CHEMBL4445280) Show SMILES COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(C)CC2)c(OC)c1 Show InChI InChI=1S/C22H26N2O4/c1-23-9-11-24(12-10-23)17-6-4-5-16(13-17)7-8-19(25)22-20(26)14-18(27-2)15-21(22)28-3/h4-8,13-15,26H,9-12H2,1-3H3/b8-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515425 (CHEMBL4476518) Show SMILES COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCOCC2)c(OC)c1 Show InChI InChI=1S/C21H23NO5/c1-25-17-13-19(24)21(20(14-17)26-2)18(23)7-6-15-4-3-5-16(12-15)22-8-10-27-11-9-22/h3-7,12-14,24H,8-11H2,1-2H3/b7-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.88E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515407 (CHEMBL4537901) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]C([#6])([#6])[#6])c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H40N2O6/c1-21(2)11-13-24-26(37-6)20-27(38-7)28(29(24)35)25(34)14-12-22-9-8-10-23(19-22)32-15-17-33(18-16-32)30(36)39-31(3,4)5/h8-12,14,19-20,35H,13,15-18H2,1-7H3/b14-12+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515398 (CHEMBL4455563) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccccc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H24O4/c1-15(2)10-12-17-19(25-3)14-20(26-4)21(22(17)24)18(23)13-11-16-8-6-5-7-9-16/h5-11,13-14,24H,12H2,1-4H3/b13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515399 (CHEMBL4435347) Show SMILES [#6]-[#8]-c1ccc(\[#6]=[#6]\[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])cc2-[#8]-[#6])cc1 Show InChI InChI=1S/C23H26O5/c1-15(2)6-12-18-20(27-4)14-21(28-5)22(23(18)25)19(24)13-9-16-7-10-17(26-3)11-8-16/h6-11,13-14,25H,12H2,1-5H3/b13-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515400 (CHEMBL4524268) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(Cl)cc2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C22H23ClO4/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,25H,11H2,1-4H3/b12-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.18E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515418 (CHEMBL4565660) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(cc2)C(F)(F)F)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C23H23F3O4/c1-14(2)5-11-17-19(29-3)13-20(30-4)21(22(17)28)18(27)12-8-15-6-9-16(10-7-15)23(24,25)26/h5-10,12-13,28H,11H2,1-4H3/b12-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515406 (CHEMBL4441452) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)-[#7]-2-[#6]-[#6]-[#7](-[#6])-[#6]-[#6]-2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C27H34N2O4/c1-19(2)9-11-22-24(32-4)18-25(33-5)26(27(22)31)23(30)12-10-20-7-6-8-21(17-20)29-15-13-28(3)14-16-29/h6-10,12,17-18,31H,11,13-16H2,1-5H3/b12-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515417 (CHEMBL4434968) Show SMILES CCCCCc1c(O)c(C(=O)\C=C\c2cccc(c2)N2CCNCC2)c(OC)cc1OC Show InChI InChI=1S/C26H34N2O4/c1-4-5-6-10-21-23(31-2)18-24(32-3)25(26(21)30)22(29)12-11-19-8-7-9-20(17-19)28-15-13-27-14-16-28/h7-9,11-12,17-18,27,30H,4-6,10,13-16H2,1-3H3/b12-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.36E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50482882 (CHEBI:70658 | CHEMBL463095) Show SMILES COc1c(C)c(O)c(C)c(O)c1C(=O)\C=C\c1ccccc1 Show InChI InChI=1S/C18H18O4/c1-11-16(20)12(2)18(22-3)15(17(11)21)14(19)10-9-13-7-5-4-6-8-13/h4-10,20-21H,1-3H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515405 (CHEMBL4546355) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#8]-[#6])c2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C25H30O7/c1-15(2)8-10-17-19(28-3)14-20(29-4)23(24(17)27)18(26)11-9-16-12-21(30-5)25(32-7)22(13-16)31-6/h8-9,11-14,27H,10H2,1-7H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515404 (CHEMBL4435289) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8]-[#6])c(-[#8]-[#6])c2-[#8]-[#6])c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C25H30O7/c1-15(2)8-11-17-20(29-4)14-21(30-5)22(23(17)27)18(26)12-9-16-10-13-19(28-3)25(32-7)24(16)31-6/h8-10,12-14,27H,11H2,1-7H3/b12-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.75E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515396 (CHEMBL4572141) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2cccc(c2)-[#7]-2-[#6]-[#6]-[#8]-[#6]-[#6]-2)c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C26H31NO5/c1-18(2)8-10-21-23(30-3)17-24(31-4)25(26(21)29)22(28)11-9-19-6-5-7-20(16-19)27-12-14-32-15-13-27/h5-9,11,16-17,29H,10,12-15H2,1-4H3/b11-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515419 (CHEMBL4464702) Show SMILES COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OC)c1 Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-25(31)28-13-11-27(12-14-28)19-8-6-7-18(15-19)9-10-21(29)24-22(30)16-20(32-4)17-23(24)33-5/h6-10,15-17,30H,11-14H2,1-5H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515413 (CHEMBL4469398) Show SMILES COc1cc(O)c(C(=O)\C=C\c2cccc(c2)N2CCN(CC2)C(=O)c2ccc(OC)c(OC)c2)c(OC)c1 Show InChI InChI=1S/C30H32N2O7/c1-36-23-18-25(34)29(28(19-23)39-4)24(33)10-8-20-6-5-7-22(16-20)31-12-14-32(15-13-31)30(35)21-9-11-26(37-2)27(17-21)38-3/h5-11,16-19,34H,12-15H2,1-4H3/b10-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.23E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515408 (CHEMBL4469989) Show SMILES [#6]-[#8]-c1cc(-[#8]-[#6])c(-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#7]-2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=O)-[#8]C([#6])([#6])[#6])c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6] Show InChI InChI=1S/C31H40N2O6/c1-21(2)8-14-24-26(37-6)20-27(38-7)28(29(24)35)25(34)15-11-22-9-12-23(13-10-22)32-16-18-33(19-17-32)30(36)39-31(3,4)5/h8-13,15,20,35H,14,16-19H2,1-7H3/b15-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.22E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50515411 (CHEMBL4517746) Show SMILES COc1cc(O)c(C(=O)\C=C\c2ccc(cc2)N2CCN(CC2)C(=O)OC(C)(C)C)c(OC)c1 Show InChI InChI=1S/C26H32N2O6/c1-26(2,3)34-25(31)28-14-12-27(13-15-28)19-9-6-18(7-10-19)8-11-21(29)24-22(30)16-20(32-4)17-23(24)33-5/h6-11,16-17,30H,12-15H2,1-5H3/b11-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.92E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Reversal of P-gp-mediated multidrug resistance in human MCF7/Dox cells assessed as potentiation of doxorubicin-induced cytotoxicity by measuring doxo...				Eur J Med Chem 180: 350-366 (2019) Article DOI: 10.1016/j.ejmech.2019.05.053 BindingDB Entry DOI: 10.7270/Q2H135B9
					More data for this Ligand-Target Pair