BDBM50221834 (1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acetyloxy)methyl]-4-[(furan-2-yl)carbonyloxy]-2-hydroxy-2,10,10-trimethyl-5-(pentyloxy)-11-oxatricyclo[7.2.1.0^{1,6}]dodecan-7-yl furan-2-carboxylate::CHEMBL394979

SMILES: CCCCCO[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)c1ccco1

InChI Key: InChIKey=JHVUZRGIXVLEAG-WCIXNYCWSA-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 = 50221834   

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))	BDBM50221834 ((1S,2R,4S,5R,6R,7S,9R,12R)-12-(acetyloxy)-6-[(acet...) Show SMILES CCCCCO[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12COC(C)=O)[C@H]3OC(C)=O)OC(=O)c1ccco1 |TLB:35:34:28.18.19:13.14| Show InChI InChI=1S/C34H44O13/c1-7-8-9-14-42-28-25(45-29(37)23-12-10-15-40-23)18-32(6,39)34-27(44-21(3)36)22(31(4,5)47-34)17-26(33(28,34)19-43-20(2)35)46-30(38)24-13-11-16-41-24/h10-13,15-16,22,25-28,39H,7-9,14,17-19H2,1-6H3/t22-,25+,26+,27-,28+,32-,33-,34+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto Universitario de Bio-OrgAnica Antonio GonzAlez Curated by ChEMBL					Assay Description Inhibition of human Pgp-mediated DNR transport in NIH3T3 cells by microplate assay				J Med Chem 50: 4808-17 (2007) Article DOI: 10.1021/jm070290v BindingDB Entry DOI: 10.7270/Q2K35TCP
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