Compile Data Set for Download or QSAR

Found 32 hits Enz. Inhib. hit(s) with all data for entry = 50013836   

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))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.220	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.260	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.710	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.790	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.890	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50075373 (1N-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydro-2-isoqu...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cc(OC)c(OC)cc4NC(=O)c4cnc5ccccc5c4)cc3)Cc2cc1OC Show InChI InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	8.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to vincristine-induced cytotoxicity...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human MCF-7T cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to vincristine-induced cytotoxicity by...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50570217 (CHEMBL4863423) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(COC(=O)CCC(=O)OCCOCCOCCOCCO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	23	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					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	37	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50506874 (CHEMBL4161103) Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4nccnc4[C@@](C)(CO)[C@]3([H])CC[C@@]12C)C(=O)OCc1ccccc1 |r,t:15| Show InChI InChI=1S/C39H52N2O3/c1-34(2)16-18-39(33(43)44-24-26-10-8-7-9-11-26)19-17-37(5)27(28(39)22-34)12-13-31-35(3)23-29-32(41-21-20-40-29)36(4,25-42)30(35)14-15-38(31,37)6/h7-12,20-21,28,30-31,42H,13-19,22-25H2,1-6H3/t28-,30+,31+,35-,36-,37+,38+,39-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Reversal of P-glycoprotein mediated multidrug resistance in human KBV cells assessed as reversal of resistance to paclitaxel-induced cytotoxicity by ...				Citation and Details Article DOI: 10.1016/j.ejmech.2020.113107 BindingDB Entry DOI: 10.7270/Q2SX6HZ3
					More data for this Ligand-Target Pair