Compile Data Set for Download or QSAR

Found 20 hits Enz. Inhib. hit(s) with all data for entry = 50006163   

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))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 ...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 ...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					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	29	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 ...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562 cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 0.023 +/...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	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
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497441 (CHEMBL3339300) Show SMILES COc1cc(\C=C\C(=O)OCCCCCN(C)CCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-10-5-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-12-22-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2....				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497443 (CHEMBL3339299) Show SMILES COc1cc(\C=C\C(=O)OCCCN(C)CCCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(20-12-22-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)19-10-5-11-21-44-36(39)34-29-15-8-6-13-27(29)25-28-14-7-9-16-30(28)34/h6-9,13-18,23-25H,5,10-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2....				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					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	740	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 3 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2.00...				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
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ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50497442 (CHEMBL3339301) Show SMILES COc1cc(\C=C\C(=O)OCCCCN(C)CCCCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC Show InChI InChI=1S/C36H41NO7/c1-37(19-9-11-21-43-33(38)18-17-26-23-31(40-2)35(42-4)32(24-26)41-3)20-10-12-22-44-36(39)34-29-15-7-5-13-27(29)25-28-14-6-8-16-30(28)34/h5-8,13-18,23-25H,9-12,19-22H2,1-4H3/b18-17+	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Firenze Curated by ChEMBL					Assay Description Modulatory activity at P-gp assessed as doxorubicin IC50 in human K562/DOX cells at 0.1 uM after 72 hrs by MTT assay (Rvb doxorubicin alone IC50 = 2....				Eur J Med Chem 87: 398-412 (2014) Article DOI: 10.1016/j.ejmech.2014.09.084 BindingDB Entry DOI: 10.7270/Q2H41VF6
					More data for this Ligand-Target Pair