BDBM50353603 CHEMBL1829524

SMILES: C[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)c1ccccc1

InChI Key: InChIKey=IXQAMDNZYHTXQB-UAVPJDGYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50353603   

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
P-glycoprotein 1 (Homo sapiens (Human))	BDBM50353603 (CHEMBL1829524) Show SMILES C[C@@H]1[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(=O)c2ccoc2)[C@@]2(C)[C@H](C[C@@H]3C[C@]12OC3(C)C)OC(=O)c1ccccc1 |r| Show InChI InChI=1S/C31H36O10/c1-17-24(37-18(2)32)25(38-19(3)33)26(40-28(35)21-12-13-36-16-21)30(6)23(39-27(34)20-10-8-7-9-11-20)14-22-15-31(17,30)41-29(22,4)5/h7-13,16-17,22-26H,14-15H2,1-6H3/t17-,22?,23+,24-,25-,26+,30-,31+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-Org£nica Antonio Gonz£lez Curated by ChEMBL					Assay Description Inhibition of human MDR1 expressed in mouse NIH-3T3 cells assessed as daunomycin efflux after 30 mins by flow cytometry				Eur J Med Chem 46: 4915-23 (2011) Article DOI: 10.1016/j.ejmech.2011.07.048 BindingDB Entry DOI: 10.7270/Q2N29XB8
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