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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50064437   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
V-type proton ATPase subunit S1


(Homo sapiens (Human))
BDBM50064437
PNG
(2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...)
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@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3|
Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1
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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
V-type proton ATPase subunit S1


(Homo sapiens (Human))
BDBM50064437
PNG
(2-[3-(3,15-Dimethoxy-7,9,11,13-tetramethyl-10,16-d...)
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@@]1(O)C[C@H]([C@H](C)[C@H](O1)C(C)C)C(=O)Oc1ccccc1 |c:5,15,18,t:3|
Show InChI InChI=1S/C42H60O10/c1-24(2)38-29(7)33(40(45)50-32-17-13-12-14-18-32)23-42(47,52-38)31(9)37(44)30(8)39-34(48-10)19-15-16-25(3)20-27(5)36(43)28(6)21-26(4)22-35(49-11)41(46)51-39/h12-19,21-22,24,27-31,33-34,37-39,44,47H,20,23H2,1-11H3/b19-15+,25-16+,26-21+,35-22-/t27-,28+,29-,30-,31-,33+,34-,37+,38+,39+,42+/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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