Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50532704'   

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))	BDBM50532704 (CHEMBL4434729) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCCOc4nonc4OCc4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C36H37N3O6/c1-40-33-21-30-17-18-39(24-31(30)22-34(33)41-2)23-26-9-11-28(12-10-26)29-13-15-32(16-14-29)42-19-6-20-43-35-36(38-45-37-35)44-25-27-7-4-3-5-8-27/h3-5,7-16,21-22H,6,17-20,23-25H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.970	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))	BDBM50532704 (CHEMBL4434729) Show SMILES COc1cc2CCN(Cc3ccc(cc3)-c3ccc(OCCCOc4nonc4OCc4ccccc4)cc3)Cc2cc1OC Show InChI InChI=1S/C36H37N3O6/c1-40-33-21-30-17-18-39(24-31(30)22-34(33)41-2)23-26-9-11-28(12-10-26)29-13-15-32(16-14-29)42-19-6-20-43-35-36(38-45-37-35)44-25-27-7-4-3-5-8-27/h3-5,7-16,21-22H,6,17-20,23-25H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.970	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