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BDBM50064440 (2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-dioxo-oxacyclohexadeca-4,6,12,14-tetraen-2-yl)-3-hydroxy-2-methyl-pentanoic acid methyl ester::CHEMBL291450

SMILES: CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)OC

InChI Key: InChIKey=ITSKLXWMGLTEBT-VRQQIVQTSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50064440   
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
Vacuolar ATP synthase subunit S1


(Homo sapiens (Human))
BDBM50064440
PNG
((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...)
Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)OC
Show InChI InChI=1S/C28H42O8/c1-16-11-10-12-22(33-7)26(20(5)25(30)21(6)27(31)35-9)36-28(32)23(34-8)15-17(2)14-19(4)24(29)18(3)13-16/h10-12,14-15,18-22,25-26,30H,13H2,1-9H3/b12-10+,16-11+,17-14+,23-15-/t18-,19+,20-,21-,22-,25+,26+/m0/s1
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KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



SmithKline Beecham SpA

Curated by ChEMBL


Assay Description
Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from chicken osteoclasts (cOc).


J Med Chem 41: 1883-93 (1998)


Article DOI: 10.1021/jm9707838
BindingDB Entry DOI: 10.7270/Q2TM7987
More data for this
Ligand-Target Pair
Vacuolar ATP synthase subunit S1


(Homo sapiens (Human))
BDBM50064440
PNG
((2S,3R,4S)-4-((4E,6E,12E,14Z)-(2R,3S,9S,11R)-3,15-...)
Show SMILES CO[C@H]1\C=C\C=C(C)\C[C@H](C)C(=O)[C@H](C)\C=C(/C)\C=C(OC)\C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)C(=O)OC
Show InChI InChI=1S/C28H42O8/c1-16-11-10-12-22(33-7)26(20(5)25(30)21(6)27(31)35-9)36-28(32)23(34-8)15-17(2)14-19(4)24(29)18(3)13-16/h10-12,14-15,18-22,25-26,30H,13H2,1-9H3/b12-10+,16-11+,17-14+,23-15-/t18-,19+,20-,21-,22-,25+,26+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



SmithKline Beecham SpA

Curated by ChEMBL


Assay Description
Inhibition of V-ATPase-driven proton transport in membrane vesicles derived from bovine chromaffin granules (bCG).


J Med Chem 41: 1883-93 (1998)


Article DOI: 10.1021/jm9707838
BindingDB Entry DOI: 10.7270/Q2TM7987
More data for this
Ligand-Target Pair