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BDBM50221852 CHEMBL449353::furan-2-carboxylic acid (1S,2R,4S,5R,6R,7S,9R,12R)-5-acetoxy-4-benzoyloxy-12-dodecanoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-7-yl ester

SMILES: CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1

InChI Key: InChIKey=ZAZJLXPLHYBQOW-DLALOPTISA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221852   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
P-glycoprotein 1


(Homo sapiens (Human))		BDBM50221852
PNG
(CHEMBL449353 | furan-2-carboxylic acid (1S,2R,4S,5...)
Show SMILES CCCCCCCCCCCC(=O)O[C@@H]1[C@H]2C[C@H](OC(=O)c3ccco3)[C@]3(C)[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@@]13OC2(C)C)OC(=O)c1ccccc1 |THB:13:14:26.16.17:39.40|
Show InChI InChI=1S/C41H56O11/c1-7-8-9-10-11-12-13-14-18-23-33(43)51-34-29-25-32(50-37(45)30-22-19-24-47-30)40(6)35(48-27(2)42)31(49-36(44)28-20-16-15-17-21-28)26-39(5,46)41(34,40)52-38(29,3)4/h15-17,19-22,24,29,31-32,34-35,46H,7-14,18,23,25-26H2,1-6H3/t29-,31+,32+,34-,35+,39-,40-,41+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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antibodypedia
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PC cid
PC sid
UniChem

Similars
Article
PubMed
 5.16E+3n/an/an/an/an/an/an/an/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