Compile Data Set for Download or QSAR

Found 159 hits Enz. Inhib. hit(s) with all data for entry = 50037842   

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))	BDBM50207914 (1-(4-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...) Show SMILES CC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2ccccc2C)cc1 Show InChI InChI=1S/C22H28N2O3/c1-17-5-3-4-6-22(17)24-13-11-23(12-14-24)15-20(26)16-27-21-9-7-19(8-10-21)18(2)25/h3-10,20,26H,11-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.55E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135033 (1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...) Show SMILES CCC(=O)c1ccccc1OCC(O)CN1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C23H29NO4/c1-2-21(26)20-10-6-7-11-22(20)28-17-19(25)16-24-14-12-23(27,13-15-24)18-8-4-3-5-9-18/h3-11,19,25,27H,2,12-17H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	299	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135004 (1-(5-(benzyloxy)-2-(2-hydroxy-3-(piperidin-1-yl)pr...) Show SMILES OC(COc1ccc(OCc2ccccc2)cc1C(=O)CCc1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C30H35NO4/c32-26(21-31-18-8-3-9-19-31)23-35-30-17-15-27(34-22-25-12-6-2-7-13-25)20-28(30)29(33)16-14-24-10-4-1-5-11-24/h1-2,4-7,10-13,15,17,20,26,32H,3,8-9,14,16,18-19,21-23H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207915 (1-(4-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-h...) Show SMILES Cc1cccc(N2CCN(CC(O)COc3ccc(cc3)C(=O)CCc3ccccc3)CC2)c1C Show InChI InChI=1S/C30H36N2O3/c1-23-7-6-10-29(24(23)2)32-19-17-31(18-20-32)21-27(33)22-35-28-14-12-26(13-15-28)30(34)16-11-25-8-4-3-5-9-25/h3-10,12-15,27,33H,11,16-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	227	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207916 (1-(2-(2-hydroxy-3-(4-nitrophenylamino)propoxy)phen...) Show SMILES OC(CNc1ccc(cc1)[N+]([O-])=O)COc1ccccc1C(=O)CCc1ccccc1 Show InChI InChI=1S/C24H24N2O5/c27-21(16-25-19-11-13-20(14-12-19)26(29)30)17-31-24-9-5-4-8-22(24)23(28)15-10-18-6-2-1-3-7-18/h1-9,11-14,21,25,27H,10,15-17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.57E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370875 (CHEMBL224951) Show SMILES CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccc(cc4)C(C)(C)C)cc3s2)cc1 Show InChI InChI=1S/C29H32N2OS2/c1-28(2,3)21-11-7-19(8-12-21)18-33-27-31-24-16-15-23(17-25(24)34-27)30-26(32)20-9-13-22(14-10-20)29(4,5)6/h7-17H,18H2,1-6H3,(H,30,32)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370876 (CHEMBL223979) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1 Show InChI InChI=1S/C29H26N2OS2/c1-29(2,3)22-13-11-20(12-14-22)27(32)30-23-15-16-25-26(17-23)34-28(31-25)33-18-21-9-6-8-19-7-4-5-10-24(19)21/h4-17H,18H2,1-3H3,(H,30,32)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207917 ((3-methyl-2,3-dihydrobenzofuran-2-yl)(piperidin-1-...) Show SMILES CC1C(Oc2ccccc12)C(=O)N1CCCCC1 Show InChI InChI=1S/C15H19NO2/c1-11-12-7-3-4-8-13(12)18-14(11)15(17)16-9-5-2-6-10-16/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.04E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370877 (CHEMBL222451) Show SMILES CCc1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C29H26N2O2/c1-2-21-12-16-24(17-13-21)31-28(30-27-11-7-6-10-26(27)29(31)32)23-14-18-25(19-15-23)33-20-22-8-4-3-5-9-22/h3-19,28,30H,2,20H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207918 (3-phenyl-1-(2-(3-(piperidin-1-yl)propoxy)phenyl)pr...) Show SMILES O=C(CCc1ccccc1)c1ccccc1OCCCN1CCCCC1 Show InChI InChI=1S/C23H29NO2/c25-22(15-14-20-10-3-1-4-11-20)21-12-5-6-13-23(21)26-19-9-18-24-16-7-2-8-17-24/h1,3-6,10-13H,2,7-9,14-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	651	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135032 (1-(3-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydro...) Show SMILES OC(COc1cccc(c1)C(=O)CCc1ccccc1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H31FN2O3/c29-24-10-12-25(13-11-24)31-17-15-30(16-18-31)20-26(32)21-34-27-8-4-7-23(19-27)28(33)14-9-22-5-2-1-3-6-22/h1-8,10-13,19,26,32H,9,14-18,20-21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207919 (1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin...) Show SMILES Cc1ccccc1N1CCN(CC(O)COc2cc(Cl)c(Cl)cc2C(=O)CCc2ccccc2)CC1 Show InChI InChI=1S/C29H32Cl2N2O3/c1-21-7-5-6-10-27(21)33-15-13-32(14-16-33)19-23(34)20-36-29-18-26(31)25(30)17-24(29)28(35)12-11-22-8-3-2-4-9-22/h2-10,17-18,23,34H,11-16,19-20H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135027 (1-(2-(2-hydroxy-3-morpholinopropoxy)phenyl)-3-phen...) Show SMILES OC(COc1ccccc1C(O)CCc1ccccc1)CN1CCOCC1 Show InChI InChI=1S/C22H29NO4/c24-19(16-23-12-14-26-15-13-23)17-27-22-9-5-4-8-20(22)21(25)11-10-18-6-2-1-3-7-18/h1-9,19,21,24-25H,10-17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.54E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207920 (1-(3-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-h...) Show SMILES Cc1cccc(N2CCN(CC(O)COc3cccc(c3)C(=O)CCc3ccccc3)CC2)c1C Show InChI InChI=1S/C30H36N2O3/c1-23-8-6-13-29(24(23)2)32-18-16-31(17-19-32)21-27(33)22-35-28-12-7-11-26(20-28)30(34)15-14-25-9-4-3-5-10-25/h3-13,20,27,33H,14-19,21-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	137	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207921 (1-(2-(2-hydroxy-3-(4-(trifluoromethyl)phenylamino)...) Show SMILES OC(CNc1ccc(cc1)C(F)(F)F)COc1ccccc1C(=O)CCc1ccccc1 Show InChI InChI=1S/C25H24F3NO3/c26-25(27,28)19-11-13-20(14-12-19)29-16-21(30)17-32-24-9-5-4-8-22(24)23(31)15-10-18-6-2-1-3-7-18/h1-9,11-14,21,29-30H,10,15-17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	8.49E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370878 (CHEMBL143061) Show SMILES CCC(=O)c1ccccc1OCC(O)CN1CCOCC1 Show InChI InChI=1S/C16H23NO4/c1-2-15(19)14-5-3-4-6-16(14)21-12-13(18)11-17-7-9-20-10-8-17/h3-6,13,18H,2,7-12H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6.70E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135030 (1-(2-(3-(cyclohexylamino)-2-hydroxypropoxy)phenyl)...) Show SMILES OC(CNC1CCCCC1)COc1ccccc1C(=O)CCc1ccccc1 Show InChI InChI=1S/C24H31NO3/c26-21(17-25-20-11-5-2-6-12-20)18-28-24-14-8-7-13-22(24)23(27)16-15-19-9-3-1-4-10-19/h1,3-4,7-10,13-14,20-21,25-26H,2,5-6,11-12,15-18H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	341	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207922 (1-(4,5-dichloro-2-(2-hydroxy-3-(4-o-tolylpiperazin...) Show SMILES CC(=O)c1cc(Cl)c(Cl)cc1OCC(O)CN1CCN(CC1)c1ccccc1C Show InChI InChI=1S/C22H26Cl2N2O3/c1-15-5-3-4-6-21(15)26-9-7-25(8-10-26)13-17(28)14-29-22-12-20(24)19(23)11-18(22)16(2)27/h3-6,11-12,17,28H,7-10,13-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	125	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207923 (1-(2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)e...) Show SMILES CC(=O)c1ccccc1OCC(O)CN1CCCCC1 Show InChI InChI=1S/C16H23NO3/c1-13(18)15-7-3-4-8-16(15)20-12-14(19)11-17-9-5-2-6-10-17/h3-4,7-8,14,19H,2,5-6,9-12H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207926 (CHEMBL223420 | N-benzyl-N-(2-hydroxy-3-(2-(3-pheny...) Show SMILES CCC(=O)N(CC(O)COc1ccccc1C(=O)CCc1ccccc1)Cc1ccccc1 Show InChI InChI=1S/C28H31NO4/c1-2-28(32)29(19-23-13-7-4-8-14-23)20-24(30)21-33-27-16-10-9-15-25(27)26(31)18-17-22-11-5-3-6-12-22/h3-16,24,30H,2,17-21H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.65E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207924 (1-(4-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)-2-h...) Show SMILES CC(=O)c1ccc(OCC(O)CN2CCN(CC2)c2cccc(C)c2C)cc1 Show InChI InChI=1S/C23H30N2O3/c1-17-5-4-6-23(18(17)2)25-13-11-24(12-14-25)15-21(27)16-28-22-9-7-20(8-10-22)19(3)26/h4-10,21,27H,11-16H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.35E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207925 (7-(2-hydroxy-3-(piperidin-1-yl)propoxy)-2-methyl-2...) Show SMILES CC1Cc2cccc(OCC(O)CN3CCCCC3)c2C1=O Show InChI InChI=1S/C18H25NO3/c1-13-10-14-6-5-7-16(17(14)18(13)21)22-12-15(20)11-19-8-3-2-4-9-19/h5-7,13,15,20H,2-4,8-12H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	9.68E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135025 (1-(5-hydroxy-2-(2-hydroxy-3-(piperidin-1-yl)propox...) Show SMILES OC(COc1ccc(O)cc1C(=O)CCc1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C23H29NO4/c25-19-10-12-23(28-17-20(26)16-24-13-5-2-6-14-24)21(15-19)22(27)11-9-18-7-3-1-4-8-18/h1,3-4,7-8,10,12,15,20,25-26H,2,5-6,9,11,13-14,16-17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.73E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50134988 (1-(2-(1-methoxy-3-phenylpropyl)phenoxy)-3-(piperid...) Show SMILES COC(CCc1ccccc1)c1ccccc1OCC(O)CN1CCCCC1 Show InChI InChI=1S/C24H33NO3/c1-27-23(15-14-20-10-4-2-5-11-20)22-12-6-7-13-24(22)28-19-21(26)18-25-16-8-3-9-17-25/h2,4-7,10-13,21,23,26H,3,8-9,14-19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	173	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370879 (CHEMBL149548) Show SMILES CC(=O)c1cccc(OCC(O)CN2CCOCC2)c1 Show InChI InChI=1S/C15H21NO4/c1-12(17)13-3-2-4-15(9-13)20-11-14(18)10-16-5-7-19-8-6-16/h2-4,9,14,18H,5-8,10-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.28E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135034 (1-(3-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-...) Show SMILES OC(COc1cccc(c1)C(=O)CCc1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C23H29NO3/c25-21(17-24-14-5-2-6-15-24)18-27-22-11-7-10-20(16-22)23(26)13-12-19-8-3-1-4-9-19/h1,3-4,7-11,16,21,25H,2,5-6,12-15,17-18H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	424	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207927 (1-(2-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...) Show SMILES Cc1ccc(OCC(O)CN2CCN(CC2)c2ccccc2C)c(c1)C(=O)CCc1ccccc1 Show InChI InChI=1S/C30H36N2O3/c1-23-12-15-30(27(20-23)29(34)14-13-25-9-4-3-5-10-25)35-22-26(33)21-31-16-18-32(19-17-31)28-11-7-6-8-24(28)2/h3-12,15,20,26,33H,13-14,16-19,21-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	26	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135014 (1-(4-(3-(diisopropylamino)-2-hydroxypropoxy)phenyl...) Show SMILES CC(C)N(CC(O)COc1ccc(cc1)C(=O)CCc1ccccc1)C(C)C Show InChI InChI=1S/C24H33NO3/c1-18(2)25(19(3)4)16-22(26)17-28-23-13-11-21(12-14-23)24(27)15-10-20-8-6-5-7-9-20/h5-9,11-14,18-19,22,26H,10,15-17H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	915	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207928 (1-((3-methyl-2,3-dihydrobenzofuran-2-yl)methyl)pip...) Show SMILES CC1C(CN2CCCCC2)Oc2ccccc12 Show InChI InChI=1S/C15H21NO/c1-12-13-7-3-4-8-14(13)17-15(12)11-16-9-5-2-6-10-16/h3-4,7-8,12,15H,2,5-6,9-11H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.89E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135019 (1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...) Show SMILES CC(=O)c1ccccc1OCC(O)CN1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C22H27NO4/c1-17(24)20-9-5-6-10-21(20)27-16-19(25)15-23-13-11-22(26,12-14-23)18-7-3-2-4-8-18/h2-10,19,25-26H,11-16H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370880 (CHEMBL221558) Show SMILES COc1ccc(cc1)C1Nc2ccccc2C(=O)N1c1ccc(NC(C)=O)cc1 Show InChI InChI=1S/C23H21N3O3/c1-15(27)24-17-9-11-18(12-10-17)26-22(16-7-13-19(29-2)14-8-16)25-21-6-4-3-5-20(21)23(26)28/h3-14,22,25H,1-2H3,(H,24,27)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.09E+4	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207931 (1-(2-(4-morpholinobutoxy)phenyl)-3-phenylpropan-1-...) Show SMILES O=C(CCc1ccccc1)c1ccccc1OCCCCN1CCOCC1 Show InChI InChI=1S/C23H29NO3/c25-22(13-12-20-8-2-1-3-9-20)21-10-4-5-11-23(21)27-17-7-6-14-24-15-18-26-19-16-24/h1-5,8-11H,6-7,12-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370881 (CHEMBL222687) Show SMILES COc1ccc(cc1)C1Nc2ccccc2C(=O)N1c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C27H22N2O3/c1-31-21-15-11-19(12-16-21)26-28-25-10-6-5-9-24(25)27(30)29(26)20-13-17-23(18-14-20)32-22-7-3-2-4-8-22/h2-18,26,28H,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135022 (1-[2-(2-Hydroxy-3-piperidin-1-yl-propoxy)-phenyl]-...) Show SMILES OC(COc1ccccc1C(=O)CCc1cccc2ccccc12)CN1CCCCC1 Show InChI InChI=1S/C27H31NO3/c29-23(19-28-17-6-1-7-18-28)20-31-27-14-5-4-13-25(27)26(30)16-15-22-11-8-10-21-9-2-3-12-24(21)22/h2-5,8-14,23,29H,1,6-7,15-20H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207929 (1-(4-(3-(3,3-diphenylpropylamino)-2-hydroxypropoxy...) Show SMILES CC(=O)c1ccc(OCC(O)CNCCC(c2ccccc2)c2ccccc2)cc1 Show InChI InChI=1S/C26H29NO3/c1-20(28)21-12-14-25(15-13-21)30-19-24(29)18-27-17-16-26(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,24,26-27,29H,16-19H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	178	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207930 (1-(3-(2-hydroxy-3-(4-o-tolylpiperazin-1-yl)propoxy...) Show SMILES CC(=O)c1cccc(OCC(O)CN2CCN(CC2)c2ccccc2C)c1 Show InChI InChI=1S/C22H28N2O3/c1-17-6-3-4-9-22(17)24-12-10-23(11-13-24)15-20(26)16-27-21-8-5-7-19(14-21)18(2)25/h3-9,14,20,26H,10-13,15-16H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	537	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207933 ((R)-1-(3-phenethylbenzofuran-2-yl)-2-(propylamino)...) Show SMILES CCCNC[C@@H](O)c1oc2ccccc2c1CCc1ccccc1 Show InChI InChI=1S/C21H25NO2/c1-2-14-22-15-19(23)21-18(13-12-16-8-4-3-5-9-16)17-10-6-7-11-20(17)24-21/h3-11,19,22-23H,2,12-15H2,1H3/t19-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370882 (CHEMBL222351) Show SMILES CN(C)c1ccc(CCC(=O)c2ccccc2OCC(O)CN2CCN(CC2)c2ccccc2C)cc1 Show InChI InChI=1S/C31H39N3O3/c1-24-8-4-6-10-29(24)34-20-18-33(19-21-34)22-27(35)23-37-31-11-7-5-9-28(31)30(36)17-14-25-12-15-26(16-13-25)32(2)3/h4-13,15-16,27,35H,14,17-23H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	13	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135007 (1-(diisopropylamino)-3-(2-(1-methoxy-3-phenylpropy...) Show SMILES COC(CCc1ccccc1)c1ccccc1OCC(O)CN(C(C)C)C(C)C Show InChI InChI=1S/C25H37NO3/c1-19(2)26(20(3)4)17-22(27)18-29-25-14-10-9-13-23(25)24(28-5)16-15-21-11-7-6-8-12-21/h6-14,19-20,22,24,27H,15-18H2,1-5H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	658	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207932 (2-benzyl-7-(3-(4-(2,4-dimethylphenyl)piperazin-1-y...) Show SMILES Cc1ccc(N2CCN(CC(O)COc3cccc4CC(Cc5ccccc5)C(=O)c34)CC2)c(C)c1 Show InChI InChI=1S/C31H36N2O3/c1-22-11-12-28(23(2)17-22)33-15-13-32(14-16-33)20-27(34)21-36-29-10-6-9-25-19-26(31(35)30(25)29)18-24-7-4-3-5-8-24/h3-12,17,26-27,34H,13-16,18-21H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	167	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207935 (3-phenyl-1-(2-(5-(piperidin-1-yl)pentyloxy)phenyl)...) Show SMILES O=C(CCc1ccccc1)c1ccccc1OCCCCCN1CCCCC1 Show InChI InChI=1S/C25H33NO2/c27-24(17-16-22-12-4-1-5-13-22)23-14-6-7-15-25(23)28-21-11-3-10-20-26-18-8-2-9-19-26/h1,4-7,12-15H,2-3,8-11,16-21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	242	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207936 (1-((3-phenethyl-2,3-dihydrobenzofuran-2-yl)methyl)...) Show SMILES C(Cc1ccccc1)C1C(CN2CCCCC2)Oc2ccccc12 Show InChI InChI=1S/C22H27NO/c1-3-9-18(10-4-1)13-14-20-19-11-5-6-12-21(19)24-22(20)17-23-15-7-2-8-16-23/h1,3-6,9-12,20,22H,2,7-8,13-17H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370883 (CHEMBL221575) Show SMILES CCCCSc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CC=C Show InChI InChI=1S/C23H28N2OS/c1-3-5-15-27-22-24-20-18-11-7-6-10-17(18)16-23(12-8-9-13-23)19(20)21(26)25(22)14-4-2/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135001 (1-(2-(3-(3,3-diphenylpropylamino)-2-hydroxypropoxy...) Show SMILES OC(CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1C(=O)CCc1ccccc1 Show InChI InChI=1S/C33H35NO3/c35-29(24-34-23-22-30(27-14-6-2-7-15-27)28-16-8-3-9-17-28)25-37-33-19-11-10-18-31(33)32(36)21-20-26-12-4-1-5-13-26/h1-19,29-30,34-35H,20-25H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	717	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135024 (1-(2-(2-hydroxy-3-morpholinopropoxy)phenyl)-3-(nap...) Show SMILES OC(COc1ccccc1C(=O)CCc1cccc2ccccc12)CN1CCOCC1 Show InChI InChI=1S/C26H29NO4/c28-22(18-27-14-16-30-17-15-27)19-31-26-11-4-3-10-24(26)25(29)13-12-21-8-5-7-20-6-1-2-9-23(20)21/h1-11,22,28H,12-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	730	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370884 (CHEMBL222605) Show SMILES Cn1cc(I)c(n1)C(=O)NNC(=O)c1ccnn1C Show InChI InChI=1S/C10H11IN6O2/c1-16-5-6(11)8(15-16)10(19)14-13-9(18)7-3-4-12-17(7)2/h3-5H,1-2H3,(H,13,18)(H,14,19)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135000 (1-(2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydro...) Show SMILES OC(COc1ccccc1C(O)CCc1ccccc1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C28H33FN2O3/c29-23-11-13-24(14-12-23)31-18-16-30(17-19-31)20-25(32)21-34-28-9-5-4-8-26(28)27(33)15-10-22-6-2-1-3-7-22/h1-9,11-14,25,27,32-33H,10,15-21H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	671	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50207934 (1-(2-(3-(4-benzoylpiperazin-1-yl)-2-hydroxypropoxy...) Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCN(CC1)C(=O)c1ccccc1 Show InChI InChI=1S/C29H32N2O4/c32-25(21-30-17-19-31(20-18-30)29(34)24-11-5-2-6-12-24)22-35-28-14-8-7-13-26(28)27(33)16-15-23-9-3-1-4-10-23/h1-14,25,32H,15-22H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	130	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370885 (CHEMBL375243) Show SMILES Cc1cccc(N2CCN(CC(O)COc3ccccc3C(=O)CCc3ccccc3)CC2)c1C Show InChI InChI=1S/C30H36N2O3/c1-23-9-8-13-28(24(23)2)32-19-17-31(18-20-32)21-26(33)22-35-30-14-7-6-12-27(30)29(34)16-15-25-10-4-3-5-11-25/h3-14,26,33H,15-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50370886 (CHEMBL376877) Show SMILES CCC(C)c1ccc(cc1)N1C(Nc2ccccc2C1=O)c1ccc(cc1)C(C)C Show InChI InChI=1S/C27H30N2O/c1-5-19(4)21-14-16-23(17-15-21)29-26(22-12-10-20(11-13-22)18(2)3)28-25-9-7-6-8-24(25)27(29)30/h6-19,26,28H,5H2,1-4H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	290	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay				J Med Chem 50: 1698-702 (2007) Article DOI: 10.1021/jm060604z BindingDB Entry DOI: 10.7270/Q2SB46JC
					More data for this Ligand-Target Pair

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