Compile Data Set for Download or QSAR

Found 5 hits with Last Name = 'chávez orellana' and Initial = 'h'   

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))	BDBM50275947 ((5S,14R,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...) Show SMILES COc1ccc2[C@H]3[C@@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21 |r,c:18,25| Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20+,23+,24-	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50275948 ((4R,13S,19R,28R)-8,23-dimethoxy-14,14,29,29-tetram...) Show SMILES COc1ccc2[C@H]3[C@@H](OCc2c1)C(C)(C)OC1=C3C(=O)C2=C([C@@H]3[C@@H](COc4cc(OC)ccc34)C(C)(C)O2)C1=O |r,c:18,t:23| Show InChI InChI=1S/C32H32O8/c1-31(2)20-14-37-21-12-17(36-6)8-10-19(21)22(20)24-26(33)29-25(27(34)28(24)39-31)23-18-9-7-16(35-5)11-15(18)13-38-30(23)32(3,4)40-29/h7-12,20,22-23,30H,13-14H2,1-6H3/t20-,22+,23-,30-/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-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50275945 ((1R,2R,4R,7bR,9R,11aR)-2,5,5,9,12,12-Hexamethyl-1,...) Show SMILES C[C@@H]1CC[C@@H]2[C@@H](C1)C1=C(OC2(C)C)C(=O)C2=C(OC(C)(C)[C@@H]3CC[C@@H](C)C[C@@H]23)C1=O |r,c:8,t:17| Show InChI InChI=1S/C26H36O4/c1-13-7-9-17-15(11-13)19-21(27)24-20(22(28)23(19)29-25(17,3)4)16-12-14(2)8-10-18(16)26(5,6)30-24/h13-18H,7-12H2,1-6H3/t13-,14-,15-,16-,17-,18-/m1/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50275949 ((4R,13S,19R,28R)-7,9,22,24-tetrabromo-14,14,29,29-...) Show SMILES CC1(C)OC2=C([C@@H]3[C@H]1COc1c(Br)cc(Br)cc31)C(=O)C1=C([C@@H]3[C@@H](OCc4c(Br)cc(Br)cc34)C(C)(C)O1)C2=O |r,c:4,t:23| Show InChI InChI=1S/C30H24Br4O6/c1-29(2)16-10-37-25-14(6-12(32)8-18(25)34)19(16)21-23(35)27-22(24(36)26(21)39-29)20-13-5-11(31)7-17(33)15(13)9-38-28(20)30(3,4)40-27/h5-8,16,19-20,28H,9-10H2,1-4H3/t16-,19+,20-,28-/m1/s1	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
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50275946 ((5R,14S,19S,28R)-10,23-dimethoxy-4,4,29,29-tetrame...) Show SMILES COc1ccc2[C@@H]3[C@H](COc2c1)C(C)(C)OC1=C3C(=O)C(=O)C2=C1OC(C)(C)[C@H]1COc3cc(OC)ccc3[C@@H]21 |r,c:18,25| Show InChI InChI=1S/C32H32O8/c1-31(2)19-13-37-21-11-15(35-5)7-9-17(21)23(19)25-27(33)28(34)26-24-18-10-8-16(36-6)12-22(18)38-14-20(24)32(3,4)40-30(26)29(25)39-31/h7-12,19-20,23-24H,13-14H2,1-6H3/t19-,20-,23+,24+/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Orgánica Antonio González Curated by ChEMBL					Assay Description Inhibition of human MDR1 overexpressed in mouse NIH/3T3 cells assessed as daunorubicin accumulation by flow cytometry				J Med Chem 51: 7132-43 (2009) Article DOI: 10.1021/jm800403b BindingDB Entry DOI: 10.7270/Q2TB16R7
					More data for this Ligand-Target Pair