Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50032260'   

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))	BDBM50032260 (CHEMBL3352974) Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C23H23NO5/c1-26-18-6-4-15(5-7-18)19-8-9-20(29-19)23(25)24-11-10-16-12-21(27-2)22(28-3)13-17(16)14-24/h4-9,12-13H,10-11,14H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of P-glycoprotein in human MCF7/ADR cells assessed as reversal fold by measuring reduction in doxorubicin IC50 at 5 uM incubated for 48 hr...				Citation and Details Article DOI: 10.1016/j.ejmech.2021.113336 BindingDB Entry DOI: 10.7270/Q2QF8XMW
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50032260 (CHEMBL3352974) Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1CCc2cc(OC)c(OC)cc2C1 Show InChI InChI=1S/C23H23NO5/c1-26-18-6-4-15(5-7-18)19-8-9-20(29-19)23(25)24-11-10-16-12-21(27-2)22(28-3)13-17(16)14-24/h4-9,12-13H,10-11,14H2,1-3H3	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	910	n/a	n/a	n/a	n/a
Universit£ degli Studi di Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of MDR1 (unknown origin) over-expressed in MDCK cells assessed as calcein accumulation incubated for 30 mins prior to Calcein-AM addition ...				J Med Chem 57: 9983-94 (2014) Article DOI: 10.1021/jm501640e BindingDB Entry DOI: 10.7270/Q2K9394N
					More data for this Ligand-Target Pair