null

SMILES: OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCOCC1

InChI Key: InChIKey=BCPQCLLMYITYLC-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 96113   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM96113 (MLS000097244 | SMR000075758 | [4-(2-hydroxy-3-morp...) Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCOCC1 Show InChI InChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of P-glycoprotein-mediated daunorubicin efflux from human CCRF-CEM/VCR1000 cells after 240 secs by FACS flow cytometric analysis				J Med Chem 55: 3261-73 (2012) Article DOI: 10.1021/jm201705f BindingDB Entry DOI: 10.7270/Q2ZP48ZK
					More data for this Ligand-Target Pair
Fructose-bisphosphate aldolase (Mycobacterium tuberculosis (strain H37Rv))	BDBM96113 (MLS000097244 | SMR000075758 | [4-(2-hydroxy-3-morp...) Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCOCC1 Show InChI InChI=1S/C20H23NO4/c22-18(14-21-10-12-24-13-11-21)15-25-19-8-6-17(7-9-19)20(23)16-4-2-1-3-5-16/h1-9,18,22H,10-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>9.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay									PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q25719N6
					More data for this Ligand-Target Pair