Compile Data Set for Download or QSAR

Found 55 hits with Last Name = 'wise' and Initial = 'jg'   

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))	BDBM50514163 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0700	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514163 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.640	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.780	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514163 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514160 (CHEMBL4557604) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1 Show InChI InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)	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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514160 (CHEMBL4557604) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1 Show InChI InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514160 (CHEMBL4557604) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1 Show InChI InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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 Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	101	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	131	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	154	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514160 (CHEMBL4557604) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1 Show InChI InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514163 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	192	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	231	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	266	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	379	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	426	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	458	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	629	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Reversal of P-gp mediated multidrug resistance in human DU145-TxR cells overexpressing P-gp assessed as potentiation of paclitaxel-induced cytotoxici...				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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.56E+4	n/a	n/a	n/a	n/a	n/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))	BDBM50514160 (CHEMBL4557604) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSCC(=O)N2c3ccccc3CCc3ccccc23)n(n1)-c1ccccc1 Show InChI InChI=1S/C36H34N4O2S/c1-24-19-26(3)30(20-25(24)2)31-21-34(40(38-31)29-13-5-4-6-14-29)37-35(41)22-43-23-36(42)39-32-15-9-7-11-27(32)17-18-28-12-8-10-16-33(28)39/h4-16,19-21H,17-18,22-23H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.69E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.31E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.29E+4	n/a	n/a	n/a	n/a	n/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))	BDBM50514156 (CHEMBL4475388) Show SMILES Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2n[nH]c(n2)C2CC2)n(n1)-c1ccccc1 Show InChI InChI=1S/C25H26N6OS/c1-15-11-17(3)20(12-16(15)2)21-13-22(31(30-21)19-7-5-4-6-8-19)26-23(32)14-33-25-27-24(28-29-25)18-9-10-18/h4-8,11-13,18H,9-10,14H2,1-3H3,(H,26,32)(H,27,28,29)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	7.10E+4	n/a	n/a	n/a	n/a	n/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 (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)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.16E+4	n/a	n/a	n/a	n/a	n/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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