BDBM50221840 CHEMBL394410::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-4,5-diacetoxy-2-hydroxy-2,6,10,10-tetramethyl-12-(naphthalene-1-carbonyloxy)-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)c1cccc2ccccc12

InChI Key: InChIKey=XGALYOMHIBHTTM-YAFWCZIYSA-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 = 50221840   

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))	BDBM50221840 (CHEMBL394410 | 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)c1cccc2ccccc12 |TLB:33:32:25.15.16:10.11| Show InChI InChI=1S/C35H38O11/c1-19(36)42-26-18-33(5,40)35-28(45-30(38)23-14-9-12-21-11-7-8-13-22(21)23)24(32(3,4)46-35)17-27(34(35,6)29(26)43-20(2)37)44-31(39)25-15-10-16-41-25/h7-16,24,26-29,40H,17-18H2,1-6H3/t24-,26+,27+,28-,29+,33-,34-,35+/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.65E+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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