Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50046498   

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))	BDBM50115973 (CHEMBL3612151) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115974 (CHEMBL3612170) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115978 (CHEMBL3612172) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C28H32ClN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115977 (CHEMBL3612153) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C28H32ClN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-16-18(29)9-10-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115972 (CHEMBL3612169) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C29H35N3O5S/c1-7-31(8-2)12-9-13-32-28(34)24(17-19-15-22(35-4)26(37-6)23(16-19)36-5)38-29(32)25-20-14-18(3)10-11-21(20)30-27(25)33/h10-11,14-17H,7-9,12-13H2,1-6H3,(H,30,33)/b24-17-,29-25-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115971 (CHEMBL3612150) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C29H35N3O5S/c1-7-31(8-2)12-9-13-32-28(34)24(17-19-15-22(35-4)26(37-6)23(16-19)36-5)38-29(32)25-20-14-18(3)10-11-21(20)30-27(25)33/h10-11,14-17H,7-9,12-13H2,1-6H3,(H,30,33)/b24-17-,29-25+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115976 (CHEMBL3612171) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-10-9-18(29)16-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115975 (CHEMBL3612152) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C28H32FN3O5S/c1-6-31(7-2)11-8-12-32-27(34)23(15-17-13-21(35-3)25(37-5)22(14-17)36-4)38-28(32)24-19-10-9-18(29)16-20(19)30-26(24)33/h9-10,13-16H,6-8,11-12H2,1-5H3,(H,30,33)/b23-15-,28-24+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116014 (CHEMBL3612160) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C26H27N3O4S/c1-3-28(4-2)12-7-13-29-25(31)22(15-17-10-11-20-21(14-17)33-16-32-20)34-26(29)23-18-8-5-6-9-19(18)27-24(23)30/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,27,30)/b22-15-,26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116013 (CHEMBL3612141) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C26H27N3O4S/c1-3-28(4-2)12-7-13-29-25(31)22(15-17-10-11-20-21(14-17)33-16-32-20)34-26(29)23-18-8-5-6-9-19(18)27-24(23)30/h5-6,8-11,14-15H,3-4,7,12-13,16H2,1-2H3,(H,27,30)/b22-15-,26-23+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	480	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115962 (CHEMBL3612149) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115968 (CHEMBL3612168) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2cc(OC)c(OC)c(OC)c2)s\c1=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C28H33N3O5S/c1-6-30(7-2)13-10-14-31-27(33)23(17-18-15-21(34-3)25(36-5)22(16-18)35-4)37-28(31)24-19-11-8-9-12-20(19)29-26(24)32/h8-9,11-12,15-17H,6-7,10,13-14H2,1-5H3,(H,29,32)/b23-17-,28-24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116015 (CHEMBL3612142) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C27H29N3O4S/c1-4-29(5-2)11-6-12-30-26(32)23(15-18-8-10-21-22(14-18)34-16-33-21)35-27(30)24-19-13-17(3)7-9-20(19)28-25(24)31/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,28,31)/b23-15-,27-24+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116016 (CHEMBL3612161) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C27H29N3O4S/c1-4-29(5-2)11-6-12-30-26(32)23(15-18-8-10-21-22(14-18)34-16-33-21)35-27(30)24-19-13-17(3)7-9-20(19)28-25(24)31/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,28,31)/b23-15-,27-24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115960 (CHEMBL3612148) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)cc2F)s\c1=C1\C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-7-16(26)13-19(15)28)34-25(31)22-18-9-8-17(27)14-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12-,25-22+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115961 (CHEMBL3612167) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)cc2F)s\c1=C1/C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(12-15-6-7-16(26)13-19(15)28)34-25(31)22-18-9-8-17(27)14-20(18)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-12-,25-22-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115979 (CHEMBL3612154) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-12-14(23)5-8-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11-,22-19+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115980 (CHEMBL3612173) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-12-14(23)5-8-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11-,22-19-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115958 (CHEMBL3612158) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccccc2O)s\c1=C1/C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115829 (CHEMBL3612139) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccccc2O)s\c1=C1\C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C26H29N3O3S/c1-4-28(5-2)13-8-14-29-25(32)22(16-18-9-6-7-10-21(18)30)33-26(29)23-19-15-17(3)11-12-20(19)27-24(23)31/h6-7,9-12,15-16,30H,4-5,8,13-14H2,1-3H3,(H,27,31)/b22-16-,26-23+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116021 (CHEMBL3612145) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C26H26ClN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-14-17(27)7-8-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116022 (CHEMBL3612164) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C26H26ClN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-14-17(27)7-8-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.78E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116069 (CHEMBL3612147) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116060 (CHEMBL3612165) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)c(F)c2)s\c1=C1/C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13-,25-22-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116023 (CHEMBL3612146) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)c(F)c2)s\c1=C1\C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13-,25-22+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116020 (CHEMBL3612163) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C26H26FN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-8-7-17(27)14-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116019 (CHEMBL3612144) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C26H26FN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-8-7-17(27)14-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116018 (CHEMBL3612162) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C26H26FN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-14-17(27)7-8-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116017 (CHEMBL3612143) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(F)cc12 Show InChI InChI=1S/C26H26FN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-14-17(27)7-8-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116011 (CHEMBL3612159) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13-,22-19-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115987 (CHEMBL3612140) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C22H21N3O3S/c1-24(2)11-12-25-21(28)18(13-14-7-9-15(26)10-8-14)29-22(25)19-16-5-3-4-6-17(16)23-20(19)27/h3-10,13,26H,11-12H2,1-2H3,(H,23,27)/b18-13-,22-19+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115986 (CHEMBL3612236) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C25H26ClN3O3S/c1-3-28(4-2)12-5-13-29-24(32)21(14-16-6-9-18(30)10-7-16)33-25(29)22-19-15-17(26)8-11-20(19)27-23(22)31/h6-11,14-15,30H,3-5,12-13H2,1-2H3,(H,27,31)/b21-14-,25-22-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115985 (CHEMBL3612157) Show SMILES CCN(CC)CCCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2ccc(Cl)cc12 Show InChI InChI=1S/C25H26ClN3O3S/c1-3-28(4-2)12-5-13-29-24(32)21(14-16-6-9-18(30)10-7-16)33-25(29)22-19-15-17(26)8-11-20(19)27-23(22)31/h6-11,14-15,30H,3-5,12-13H2,1-2H3,(H,27,31)/b21-14-,25-22+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115984 (CHEMBL3612175) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccccc12 Show InChI InChI=1S/C23H21N3O4S/c1-25(2)9-10-26-22(28)19(12-14-7-8-17-18(11-14)30-13-29-17)31-23(26)20-15-5-3-4-6-16(15)24-21(20)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,27)/b19-12-,23-20-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50116079 (CHEMBL3612166) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2ccc(C)cc12 Show InChI InChI=1S/C23H23N3O3S/c1-14-4-9-18-17(12-14)20(21(28)24-18)23-26(11-10-25(2)3)22(29)19(30-23)13-15-5-7-16(27)8-6-15/h4-9,12-13,27H,10-11H2,1-3H3,(H,24,28)/b19-13-,23-20-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115982 (CHEMBL3612174) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-8-5-14(23)12-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11-,22-19-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115981 (CHEMBL3612155) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1\C(=O)Nc2cc(F)ccc12 Show InChI InChI=1S/C22H20FN3O3S/c1-25(2)9-10-26-21(29)18(11-13-3-6-15(27)7-4-13)30-22(26)19-16-8-5-14(23)12-17(16)24-20(19)28/h3-8,11-12,27H,9-10H2,1-2H3,(H,24,28)/b18-11-,22-19+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50115983 (CHEMBL3612156) Show SMILES CN(C)CCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccccc12 Show InChI InChI=1S/C23H21N3O4S/c1-25(2)9-10-26-22(28)19(12-14-7-8-17-18(11-14)30-13-29-17)31-23(26)20-15-5-3-4-6-16(15)24-21(20)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,27)/b19-12-,23-20+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>2.23E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The First Affiliated Hospital of Dalian Medical University Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry				Eur J Med Chem 101: 126-32 (2015) Article DOI: 10.1016/j.ejmech.2015.06.002 BindingDB Entry DOI: 10.7270/Q2PN97FH
					More data for this Ligand-Target Pair