BDBM50221856 CHEMBL412860::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-4,5-diacetoxy-12-(2,2-dimethyl-propionyloxy)-2-hydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES: CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)C(C)(C)C

InChI Key: InChIKey=ZCCKTWONJLKNEI-FZPDJCEMSA-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 = 50221856   

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))	BDBM50221856 (CHEMBL412860 | furan-2-carboxylic acid (1S,2R,4S,5...) Show SMILES CC(=O)O[C@H]1C[C@@](C)(O)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccco4)[C@]2(C)[C@H]1OC(C)=O)[C@H]3OC(=O)C(C)(C)C |TLB:33:32:25.15.16:10.11| Show InChI InChI=1S/C29H40O11/c1-15(30)36-19-14-27(8,34)29-21(39-24(33)25(3,4)5)17(26(6,7)40-29)13-20(28(29,9)22(19)37-16(2)31)38-23(32)18-11-10-12-35-18/h10-12,17,19-22,34H,13-14H2,1-9H3/t17-,19+,20+,21-,22+,27-,28-,29+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	960	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
					More data for this Ligand-Target Pair