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BDBM50221878 CHEMBL264137::acetic acid (1S,2R,4S,5R,6S,7S,9R,12R)-5,7-diacetoxy-6-acetoxymethyl-2,12-dihydroxy-2,10,10-trimethyl-8-oxo-11-oxa-tricyclo[7.2.1.0*1,6*]dodec-4-yl ester

SMILES: CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1O)C(=O)[C@H]2OC(C)=O)OC(C)=O

InChI Key: InChIKey=YKMBUOCGIIAMJY-HKNFWJRNSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50221878   
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))
BDBM50221878
PNG
(CHEMBL264137 | acetic acid (1S,2R,4S,5R,6S,7S,9R,1...)
Show SMILES CC(=O)OC[C@@]12[C@@H](OC(C)=O)[C@H](C[C@@](C)(O)[C@]11OC(C)(C)[C@@H]([C@H]1O)C(=O)[C@H]2OC(C)=O)OC(C)=O
Show InChI InChI=1S/C23H32O12/c1-10(24)31-9-22-18(33-12(3)26)14(32-11(2)25)8-21(7,30)23(22)17(29)15(20(5,6)35-23)16(28)19(22)34-13(4)27/h14-15,17-19,29-30H,8-9H2,1-7H3/t14-,15+,17+,18-,19+,21+,22-,23-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.65E+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