Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent translocase ABCB1' and Ligand = 'BDBM50015306'   

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))	BDBM50015306 (CHEMBL3263842) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Displacement of [125I]IAPP from ABCB1 (unknown origin) expressed in High Five insect cell membrane at >5 uM preincubated for 10 mins by autoradiograp...				J Med Chem 57: 4058-72 (2014) Article DOI: 10.1021/jm401966m BindingDB Entry DOI: 10.7270/Q2794671
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50015306 (CHEMBL3263842) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Inhibition of human wild type P-gp expressed in BacMam virus infected human HeLa cells assessed as calcein-AM accumulation after 10 mins by flow cyto...				J Med Chem 57: 4058-72 (2014) Article DOI: 10.1021/jm401966m BindingDB Entry DOI: 10.7270/Q2794671
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50015306 (CHEMBL3263842) Show SMILES COc1cc(cc(OC)c1OC)C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)Nc1ccccc1C(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H31N3O6S/c1-18(2)26(34-29(36)20-15-24(38-3)28(40-5)25(16-20)39-4)31-33-23(17-41-31)30(37)32-22-14-10-9-13-21(22)27(35)19-11-7-6-8-12-19/h6-18,26H,1-5H3,(H,32,37)(H,34,36)/t26-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	n/a
St. John's University Curated by ChEMBL					Assay Description Stimulation of ATPase activity of ABCB1 (unknown origin) expressed in High Five insect cell membrane assessed as ATP hydrolysis				J Med Chem 57: 4058-72 (2014) Article DOI: 10.1021/jm401966m BindingDB Entry DOI: 10.7270/Q2794671
					More data for this Ligand-Target Pair