BDBM50221849 CHEMBL394976::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-4-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-12-(2,2,2-trifluoro-acetoxy)-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES: CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(F)(F)F)OC(=O)c1ccccc1

InChI Key: InChIKey=BVYKEKLQULWZQZ-BKGHEZOZSA-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 = 50221849   

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))	BDBM50221849 (CHEMBL394976 | furan-2-carboxylic acid (1S,2R,4S,5...) Show SMILES CC(=O)O[C@H]1[C@H](C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]12C)[C@H]3OC(=O)C(F)(F)F)OC(=O)c1ccccc1 |TLB:29:28:26.16.17:11.12| Show InChI InChI=1S/C31H33F3O11/c1-16(35)41-23-20(42-24(36)17-10-7-6-8-11-17)15-28(4,39)30-22(44-26(38)31(32,33)34)18(27(2,3)45-30)14-21(29(23,30)5)43-25(37)19-12-9-13-40-19/h6-13,18,20-23,39H,14-15H2,1-5H3/t18-,20+,21+,22-,23+,28-,29-,30+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56E+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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