Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50532714'   

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))	BDBM50532714 (CHEMBL4458009) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Via P. Giuria 9 Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay				J Med Chem 59: 6729-38 (2016) Article DOI: 10.1021/acs.jmedchem.6b00252 BindingDB Entry DOI: 10.7270/Q28S4TCD
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50532714 (CHEMBL4458009) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCOc4nonc4[S+]([O-])c4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C34H33N3O6S/c1-39-31-20-27-16-17-37(23-28(27)21-32(31)40-2)22-24-8-10-25(11-9-24)26-12-14-29(15-13-26)41-18-19-42-33-34(36-43-35-33)44(38)30-6-4-3-5-7-30/h3-15,20-21H,16-19,22-23H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.900	n/a	n/a	n/a	n/a
Universit£ degli Studi di Torino Via P. Giuria 9 Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) expressed in MDCK cells assessed as decrease in calcein-AM transport after 30 mins by fluorescence assay				J Med Chem 59: 6729-38 (2016) Article DOI: 10.1021/acs.jmedchem.6b00252 BindingDB Entry DOI: 10.7270/Q28S4TCD
					More data for this Ligand-Target Pair