Compile Data Set for Download or QSAR

Found 253 hits with Last Name = 'chiba' and Initial = 'p'   

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))	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	5.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485462 (CHEMBL313113) Show SMILES CCOC\C=C\c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(NC(C)C)cc1)-c1ccc(NC(C)C)cc1 Show InChI InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					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	33	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009280 (CHEMBL3233494) Show SMILES COc1cc2C\C(=C/C=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C22H23NO3/c1-23(2)18-10-8-15(9-11-18)6-5-7-16-12-17-13-20(25-3)21(26-4)14-19(17)22(16)24/h5-11,13-14H,12H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485455 (CHEMBL2059236) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C36H38N2O6/c39-29(25-43-33-17-9-7-15-31(33)35(41)27-11-3-1-4-12-27)23-37-19-21-38(22-20-37)24-30(40)26-44-34-18-10-8-16-32(34)36(42)28-13-5-2-6-14-28/h1-18,29-30,39-40H,19-26H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50134980 (1-(2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-y...) Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C29H33NO4/c31-25(21-30-19-17-29(33,18-20-30)24-11-5-2-6-12-24)22-34-28-14-8-7-13-26(28)27(32)16-15-23-9-3-1-4-10-23/h1-14,25,31,33H,15-22H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50420186 (ZOSUQUIDAR | ZOSUQUIDAR TRIHYDROCHLORIDE) Show SMILES O[C@@H](COc1cccc2ncccc12)CN1CCN(CC1)[C@@H]1c2ccccc2[C@@H]2[C@H](c3ccccc13)C2(F)F |r| Show InChI InChI=1S/C32H31F2N3O2/c33-32(34)29-22-7-1-3-9-24(22)31(25-10-4-2-8-23(25)30(29)32)37-17-15-36(16-18-37)19-21(38)20-39-28-13-5-12-27-26(28)11-6-14-35-27/h1-14,21,29-31,38H,15-20H2/t21-,29-,30+,31-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009293 (CHEMBL3233505) Show SMILES COc1cc(\C=C\C=C\C(=O)c2cccc(c2)C(=O)\C=C\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C34H34O8/c1-37-29-18-23(19-30(38-2)33(29)41-5)12-7-9-16-27(35)25-14-11-15-26(22-25)28(36)17-10-8-13-24-20-31(39-3)34(42-6)32(21-24)40-4/h7-22H,1-6H3/b12-7+,13-8+,16-9+,17-10+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50206310 (5-Methoxy-9-oxo-9,10-dihydro-acridine-4-carboxylic...) Show SMILES COc1cc2CCN(CCc3ccc(NC(=O)c4cccc5c4[nH]c4c(OC)cccc4c5=O)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O5/c1-40-28-9-5-7-26-32(28)36-31-25(33(26)38)6-4-8-27(31)34(39)35-24-12-10-21(11-13-24)14-16-37-17-15-22-18-29(41-2)30(42-3)19-23(22)20-37/h4-13,18-19H,14-17,20H2,1-3H3,(H,35,39)(H,36,38)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair				3D Structure (crystal)
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485461 (CHEMBL2058782) Show SMILES Cc1cccc(N2CCN(CC(O)COc3ccccc3C(=O)c3ccccc3)CC2)c1C Show InChI InChI=1S/C28H32N2O3/c1-21-9-8-13-26(22(21)2)30-17-15-29(16-18-30)19-24(31)20-33-27-14-7-6-12-25(27)28(32)23-10-4-3-5-11-23/h3-14,24,31H,15-20H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50022815 ((3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-ethyl-33...) Show SMILES CC[C@@H]1NC(=O)[C@H]([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C |r| Show InChI InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41+,42-,43+,44+,45+,46+,47+,49+,50+,51+,52-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009290 (CHEMBL3233503) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1cccc(\C=C\C(=O)c2cc(OC)c(OC)c(OC)c2)c1 Show InChI InChI=1S/C30H30O8/c1-33-25-15-21(16-26(34-2)29(25)37-5)23(31)12-10-19-8-7-9-20(14-19)11-13-24(32)22-17-27(35-3)30(38-6)28(18-22)36-4/h7-18H,1-6H3/b12-10+,13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009279 (CHEMBL2220507) Show SMILES COc1cc2C\C(=C/c3ccc(cc3)N(C)C)C(=O)c2cc1OC Show InChI InChI=1S/C20H21NO3/c1-21(2)16-7-5-13(6-8-16)9-15-10-14-11-18(23-3)19(24-4)12-17(14)20(15)22/h5-9,11-12H,10H2,1-4H3/b15-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009292 (CHEMBL3233504) Show SMILES COc1cc(\C=C\C(=O)c2cccc(c2)C(=O)\C=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C30H30O8/c1-33-25-14-19(15-26(34-2)29(25)37-5)10-12-23(31)21-8-7-9-22(18-21)24(32)13-11-20-16-27(35-3)30(38-6)28(17-20)36-4/h7-18H,1-6H3/b12-10+,13-11+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009289 (CHEMBL3233502) Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1cccc(\C=C\C(=O)c2ccc(OC)c(OC)c2)c1 Show InChI InChI=1S/C28H26O6/c1-31-25-14-10-21(17-27(25)33-3)23(29)12-8-19-6-5-7-20(16-19)9-13-24(30)22-11-15-26(32-2)28(18-22)34-4/h5-18H,1-4H3/b12-8+,13-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009282 (CHEMBL3233496) Show SMILES COc1cc2CC\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2cc1OC Show InChI InChI=1S/C24H26O6/c1-26-19-13-17-10-9-16(23(25)18(17)14-20(19)27-2)8-6-7-15-11-21(28-3)24(30-5)22(12-15)29-4/h6-8,11-14H,9-10H2,1-5H3/b7-6+,16-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50134979 ((2-(3-(4-(4-fluorophenyl)piperazin-1-yl)-2-hydroxy...) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN2O3/c27-21-10-12-22(13-11-21)29-16-14-28(15-17-29)18-23(30)19-32-25-9-5-4-8-24(25)26(31)20-6-2-1-3-7-20/h1-13,23,30H,14-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485460 (CHEMBL2058783) Show SMILES Cc1cccc(N2CCN(CC(O)COc3cccc(c3)C(=O)c3ccccc3)CC2)c1C Show InChI InChI=1S/C28H32N2O3/c1-21-8-6-13-27(22(21)2)30-16-14-29(15-17-30)19-25(31)20-33-26-12-7-11-24(18-26)28(32)23-9-4-3-5-10-23/h3-13,18,25,31H,14-17,19-20H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485454 (CHEMBL2059231) Show SMILES Cc1ccccc1N1CCN(CC(O)COc2cccc(c2)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O3/c1-21-8-5-6-13-26(21)29-16-14-28(15-17-29)19-24(30)20-32-25-12-7-11-23(18-25)27(31)22-9-3-2-4-10-22/h2-13,18,24,30H,14-17,19-20H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50134994 ((2-(2-hydroxy-3-(4-hydroxy-4-phenylpiperidin-1-yl)...) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCC(O)(CC1)c1ccccc1 Show InChI InChI=1S/C27H29NO4/c29-23(19-28-17-15-27(31,16-18-28)22-11-5-2-6-12-22)20-32-25-14-8-7-13-24(25)26(30)21-9-3-1-4-10-21/h1-14,23,29,31H,15-20H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50067133 (1-(2-(2-hydroxy-3-(propylamino)propoxy)phenyl)-3-p...) Show SMILES CCCNCC(O)COc1ccccc1C(=O)CCc1ccccc1 Show InChI InChI=1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	331	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485449 (CHEMBL2059235) Show SMILES Cc1ccc(NC(=S)N2CCN(CC(O)COc3ccccc3C(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H31N3O3S/c1-21-11-13-23(14-12-21)29-28(35)31-17-15-30(16-18-31)19-24(32)20-34-26-10-6-5-9-25(26)27(33)22-7-3-2-4-8-22/h2-14,24,32H,15-20H2,1H3,(H,29,35)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485465 (CHEMBL2059234) Show SMILES Cc1ccc(NC(=O)N2CCN(CC(O)COc3ccccc3C(=O)c3ccccc3)CC2)cc1 Show InChI InChI=1S/C28H31N3O4/c1-21-11-13-23(14-12-21)29-28(34)31-17-15-30(16-18-31)19-24(32)20-35-26-10-6-5-9-25(26)27(33)22-7-3-2-4-8-22/h2-14,24,32H,15-20H2,1H3,(H,29,34)	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485464 (CHEMBL2059232) Show SMILES Cc1ccccc1N1CCN(CC(O)COc2ccc(cc2)C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C27H30N2O3/c1-21-7-5-6-10-26(21)29-17-15-28(16-18-29)19-24(30)20-32-25-13-11-23(12-14-25)27(31)22-8-3-2-4-9-22/h2-14,24,30H,15-20H2,1H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50390978 (VALSPODAR) Show SMILES C\C=C\C[C@@H](C)C(=O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@@H](NC1=O)C(C)C)C(C)C |r| Show InChI InChI=1S/C63H111N11O12/c1-26-27-28-41(16)53(76)52-57(80)67-49(38(10)11)61(84)68(19)33-48(75)69(20)44(29-34(2)3)56(79)66-50(39(12)13)62(85)70(21)45(30-35(4)5)55(78)64-42(17)54(77)65-43(18)58(81)71(22)46(31-36(6)7)59(82)72(23)47(32-37(8)9)60(83)73(24)51(40(14)15)63(86)74(52)25/h26-27,34-47,49-52H,28-33H2,1-25H3,(H,64,78)(H,65,77)(H,66,79)(H,67,80)/b27-26+/t41-,42+,43-,44+,45+,46+,47+,49+,50+,51+,52+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					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	575	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485450 (CHEMBL2058785) Show SMILES OC(COc1cccc(c1)C(=O)c1ccccc1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN2O3/c27-22-9-11-23(12-10-22)29-15-13-28(14-16-29)18-24(30)19-32-25-8-4-7-21(17-25)26(31)20-5-2-1-3-6-20/h1-12,17,24,30H,13-16,18-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50135012 (1-(2-(2-hydroxy-3-(piperidin-1-yl)propoxy)phenyl)-...) Show SMILES OC(COc1ccccc1C(=O)CCc1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C23H29NO3/c25-20(17-24-15-7-2-8-16-24)18-27-23-12-6-5-11-21(23)22(26)14-13-19-9-3-1-4-10-19/h1,3-6,9-12,20,25H,2,7-8,13-18H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	603	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009277 (CHEMBL3233492) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\c1ccccc1SC Show InChI InChI=1S/C19H20O4S/c1-21-16-11-14(12-17(22-2)19(16)23-3)15(20)10-9-13-7-5-6-8-18(13)24-4/h5-12H,1-4H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485456 (CHEMBL2058784) Show SMILES Cc1cccc(N2CCN(CC(O)COc3ccc(cc3)C(=O)c3ccccc3)CC2)c1C Show InChI InChI=1S/C28H32N2O3/c1-21-7-6-10-27(22(21)2)30-17-15-29(16-18-30)19-25(31)20-33-26-13-11-24(12-14-26)28(32)23-8-4-3-5-9-23/h3-14,25,31H,15-20H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50453799 (Niguldipine) Show SMILES COC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(c1)[N+]([O-])=O)C(=O)OCCCN1CCC(CC1)(c1ccccc1)c1ccccc1 |r,c:4,9| Show InChI InChI=1S/C36H39N3O6/c1-25-31(34(40)44-3)33(27-12-10-17-30(24-27)39(42)43)32(26(2)37-25)35(41)45-23-11-20-38-21-18-36(19-22-38,28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-10,12-17,24,33,37H,11,18-23H2,1-3H3/t33-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	708	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009278 (CHEMBL3233493) Show SMILES COc1cc(cc(OC)c1OC)C(=O)\C=C\C=C\c1ccccc1SC Show InChI InChI=1S/C21H22O4S/c1-23-18-13-16(14-19(24-2)21(18)25-3)17(22)11-7-5-9-15-10-6-8-12-20(15)26-4/h5-14H,1-4H3/b9-5+,11-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	870	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485457 (CHEMBL2058786) Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C26H27FN2O3/c27-22-8-10-23(11-9-22)29-16-14-28(15-17-29)18-24(30)19-32-25-12-6-21(7-13-25)26(31)20-4-2-1-3-5-20/h1-13,24,30H,14-19H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009284 (CHEMBL3233497) Show SMILES COc1ccc2C\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2c1 Show InChI InChI=1S/C22H22O5/c1-24-17-9-8-15-12-16(21(23)18(15)13-17)7-5-6-14-10-19(25-2)22(27-4)20(11-14)26-3/h5-11,13H,12H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485459 (CHEMBL2059229) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C21H25NO3/c23-18(15-22-13-7-2-8-14-22)16-25-20-12-6-5-11-19(20)21(24)17-9-3-1-4-10-17/h1,3-6,9-12,18,23H,2,7-8,13-16H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485463 (CHEMBL2059233) Show SMILES CCCNCC(O)COc1ccccc1C(=O)c1ccc(C)cc1 Show InChI InChI=1S/C20H25NO3/c1-3-12-21-13-17(22)14-24-19-7-5-4-6-18(19)20(23)16-10-8-15(2)9-11-16/h4-11,17,21-22H,3,12-14H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009275 (CHEMBL3233220) Show SMILES COc1ccccc1\C=C\C=C\C(=O)c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C21H22O5/c1-23-18-12-8-6-10-15(18)9-5-7-11-17(22)16-13-19(24-2)21(26-4)20(14-16)25-3/h5-14H,1-4H3/b9-5+,11-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009283 (CHEMBL3233017) Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\C=C\c1cc(OC)c(OC)c(OC)c1 Show InChI InChI=1S/C23H24O5/c1-25-18-10-11-19-17(14-18)9-8-16(22(19)24)7-5-6-15-12-20(26-2)23(28-4)21(13-15)27-3/h5-7,10-14H,8-9H2,1-4H3/b6-5+,16-7+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485452 (CHEMBL1895098) Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C21H25NO3/c23-19(15-22-13-5-2-6-14-22)16-25-20-11-9-18(10-12-20)21(24)17-7-3-1-4-8-17/h1,3-4,7-12,19,23H,2,5-6,13-16H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009286 (CHEMBL3233499) Show SMILES COc1cc(\C=C\C=C2/Cc3ccc(OC)c(OC)c3C2=O)ccc1O Show InChI InChI=1S/C21H20O5/c1-24-17-10-8-14-12-15(20(23)19(14)21(17)26-3)6-4-5-13-7-9-16(22)18(11-13)25-2/h4-11,22H,12H2,1-3H3/b5-4+,15-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009285 (CHEMBL3233498) Show SMILES COc1ccc2C\C(=C/C=C/c3cc(OC)c(OC)c(OC)c3)C(=O)c2c1OC Show InChI InChI=1S/C23H24O6/c1-25-17-10-9-15-13-16(21(24)20(15)23(17)29-5)8-6-7-14-11-18(26-2)22(28-4)19(12-14)27-3/h6-12H,13H2,1-5H3/b7-6+,16-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009274 (CHEMBL3233219) Show SMILES COc1ccc(cc1OC)C(=O)\C=C\c1ccc(OC)c2ccccc12 Show InChI InChI=1S/C22H20O4/c1-24-20-12-9-15(17-6-4-5-7-18(17)20)8-11-19(23)16-10-13-21(25-2)22(14-16)26-3/h4-14H,1-3H3/b11-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009281 (CHEMBL3233495) Show SMILES COc1ccc2C(=O)\C(CCc2c1)=C\c1ccc2ccccc2c1 Show InChI InChI=1S/C22H18O2/c1-24-20-10-11-21-18(14-20)8-9-19(22(21)23)13-15-6-7-16-4-2-3-5-17(16)12-15/h2-7,10-14H,8-9H2,1H3/b19-13+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485451 (CHEMBL2059230) Show SMILES OC(COc1cccc(c1)C(=O)c1ccccc1)CN1CCCCC1 Show InChI InChI=1S/C21H25NO3/c23-19(15-22-12-5-2-6-13-22)16-25-20-11-7-10-18(14-20)21(24)17-8-3-1-4-9-17/h1,3-4,7-11,14,19,23H,2,5-6,12-13,15-16H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009287 (CHEMBL3233500) Show SMILES COc1ccc2C(=O)\C(Cc2c1)=C\C=C\c1ccccc1OC Show InChI InChI=1S/C20H18O3/c1-22-17-10-11-18-16(13-17)12-15(20(18)21)8-5-7-14-6-3-4-9-19(14)23-2/h3-11,13H,12H2,1-2H3/b7-5+,15-8+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM96113 (MLS000097244 | SMR000075758 | [4-(2-hydroxy-3-morp...) Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCOCC1 Show InChI InChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009273 (CHEMBL3233218) Show SMILES COc1ccccc1C(=O)\C=C\c1c(C)cc(C)cc1C Show InChI InChI=1S/C19H20O2/c1-13-11-14(2)16(15(3)12-13)9-10-18(20)17-7-5-6-8-19(17)21-4/h5-12H,1-4H3/b10-9+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485458 (CHEMBL2059399) Show SMILES CC(=O)c1cc(C)ccc1OCC(O)CN1CCN(CC(O)COc2ccccc2C(=O)c2ccccc2)CC1 Show InChI InChI=1S/C32H38N2O6/c1-23-12-13-31(29(18-23)24(2)35)40-22-27(37)20-34-16-14-33(15-17-34)19-26(36)21-39-30-11-7-6-10-28(30)32(38)25-8-4-3-5-9-25/h3-13,18,26-27,36-37H,14-17,19-22H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50009276 (CHEMBL3233491) Show SMILES COc1ccccc1\C=C\C=C\C(=O)c1cc(OC)c(O)c(OC)c1 Show InChI InChI=1S/C20H20O5/c1-23-17-11-7-5-9-14(17)8-4-6-10-16(21)15-12-18(24-2)20(22)19(13-15)25-3/h4-13,22H,1-3H3/b8-4+,10-6+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Medical University Vienna Curated by ChEMBL					Assay Description Inhibition of P-gp-mediated daunorubicin efflux in human CCRF-CEM/VCR1000 cells measured within 1 hr by FACS flow cytometry				Bioorg Med Chem 22: 2311-9 (2014) Article DOI: 10.1016/j.bmc.2014.02.005 BindingDB Entry DOI: 10.7270/Q2668FPX
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50485453 (CHEMBL2057229) Show SMILES OC(COc1ccccc1C(=O)c1ccccc1)CN1CCOCC1 Show InChI InChI=1S/C20H23NO4/c22-17(14-21-10-12-24-13-11-21)15-25-19-9-5-4-8-18(19)20(23)16-6-2-1-3-7-16/h1-9,17,22H,10-15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.34E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair

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