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BDBM50091551 (E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (2R,3R,4S,5S,6R)-6-[(E)-3-(3,4-dihydroxy-phenyl)-acryloyloxymethyl]-4,5-dihydroxy-2-methoxy-tetrahydro-pyran-3-yl ester::CHEMBL299686

SMILES: CO[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1

InChI Key: InChIKey=APEFOHRBRXSDNC-BMZGCPDJSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50091551   
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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50091551
PNG
((E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid (2R,3R,4...)
Show SMILES CO[C@@H]1O[C@H](COC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C25H26O12/c1-34-25-24(37-21(31)9-5-14-3-7-16(27)18(29)11-14)23(33)22(32)19(36-25)12-35-20(30)8-4-13-2-6-15(26)17(28)10-13/h2-11,19,22-29,32-33H,12H2,1H3/b8-4+,9-5+/t19-,22-,23+,24-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.05E+4n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 integrase


Bioorg Med Chem Lett 10: 1879-82 (2000)


Article DOI: 10.1016/s0960-894x(00)00355-3
BindingDB Entry DOI: 10.7270/Q2Q81DM9
More data for this
Ligand-Target Pair