Compile Data Set for Download or QSAR

Found 8 hits with Last Name = 'perestelo' and Initial = 'nr'   

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))	BDBM50353597 (CHEMBL1829396) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O)OC(=O)c1ccoc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C38H40O13/c1-22(39)46-21-37-29(49-34(43)26-16-17-45-20-26)18-27-30(50-33(42)25-14-10-7-11-15-25)38(37,51-35(27,3)4)36(5,44)19-28(31(37)47-23(2)40)48-32(41)24-12-8-6-9-13-24/h6-17,20,27-31,44H,18-19,21H2,1-5H3/t27-,28+,29+,30-,31+,36+,37-,38+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353602 (CHEMBL1829522) Show SMILES CC(=O)O[C@H]1[C@H](C[C@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccoc4)[C@]12C)[C@H]3OC(=O)c1ccccc1)OC(=O)c1ccccc1 |r,TLB:29:28:26.16.17:11.12| Show InChI InChI=1S/C36H38O11/c1-21(37)43-29-26(44-30(38)22-12-8-6-9-13-22)19-34(4,41)36-28(46-31(39)23-14-10-7-11-15-23)25(33(2,3)47-36)18-27(35(29,36)5)45-32(40)24-16-17-42-20-24/h6-17,20,25-29,41H,18-19H2,1-5H3/t25-,26+,27+,28-,29+,34+,35-,36+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353600 (CHEMBL1829520) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C35H40O12/c1-20(36)42-19-34-27(45-30(39)23-13-9-7-10-14-23)17-25-28(46-31(40)24-15-11-8-12-16-24)35(34,47-32(25,4)5)33(6,41)18-26(43-21(2)37)29(34)44-22(3)38/h7-16,25-29,41H,17-19H2,1-6H3/t25-,26+,27+,28-,29+,33+,34-,35+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353599 (CHEMBL1829518) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](O)[C@@H]2OC(C)=O)OC(=O)c1ccccc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C33H38O11/c1-19(34)40-18-32-25(42-28(37)21-12-8-6-9-13-21)16-23-26(43-29(38)22-14-10-7-11-15-22)33(32,44-30(23,3)4)31(5,39)17-24(36)27(32)41-20(2)35/h6-15,23-27,36,39H,16-18H2,1-5H3/t23-,24+,25+,26-,27+,31+,32-,33+/m1/s1	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
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353601 (CHEMBL1829521) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccoc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1 |r,THB:10:9:5.7.6:19.20| Show InChI InChI=1S/C31H36O14/c1-16(32)40-15-30-23(43-26(35)19-7-9-38-13-19)11-21-24(44-27(36)20-8-10-39-14-20)31(30,45-28(21,4)5)29(6,37)12-22(41-17(2)33)25(30)42-18(3)34/h7-10,13-14,21-25,37H,11-12,15H2,1-6H3/t21-,22+,23+,24-,25+,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	510	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353604 (CHEMBL1829527) Show SMILES CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23C[C@@H](C[C@H](OC(=O)\C=C\c4ccccc4)[C@]2(C)[C@H]1OC(=O)c1ccoc1)C(C)(C)O3 |r| Show InChI InChI=1S/C31H36O9/c1-19(32)37-23-17-29(4,35)31-16-22(28(2,3)40-31)15-24(38-25(33)12-11-20-9-7-6-8-10-20)30(31,5)26(23)39-27(34)21-13-14-36-18-21/h6-14,18,22-24,26,35H,15-17H2,1-5H3/b12-11+/t22?,23-,24+,26+,29+,30-,31+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353598 (CHEMBL1829397) Show SMILES CC(=O)OC[C@]12[C@H](C[C@@H]3[C@@H](OC(=O)c4ccccc4)[C@]1(OC3(C)C)[C@@](C)(O)C[C@H](OC(C)=O)[C@@H]2OC(C)=O)OC(=O)c1ccoc1 |r,THB:10:9:5.7.6:20.21| Show InChI InChI=1S/C33H38O13/c1-18(34)41-17-32-25(44-29(38)22-12-13-40-16-22)14-23-26(45-28(37)21-10-8-7-9-11-21)33(32,46-30(23,4)5)31(6,39)15-24(42-19(2)35)27(32)43-20(3)36/h7-13,16,23-27,39H,14-15,17H2,1-6H3/t23-,24+,25+,26-,27+,31+,32-,33+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	590	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50353603 (CHEMBL1829524) Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H36O10/c1-17-24(37-18(2)32)25(38-19(3)33)26(40-28(35)21-12-13-36-16-21)30(6)23(39-27(34)20-10-8-7-9-11-20)14-22-15-31(17,30)41-29(22,4)5/h7-13,16-17,22-26H,14-15H2,1-6H3/t17-,22?,23+,24-,25-,26+,30-,31+/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
					More data for this Ligand-Target Pair