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BDBM50088356 1,3-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-4,5-dihydroxy-cyclohexanecarboxylic acid::CHEMBL431948

SMILES: OC1CC(CC(OC(=O)\C=C/c2ccc(O)c(O)c2)C1O)(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O

InChI Key: InChIKey=YDDUMTOHNYZQPO-VHOZIDCHSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50088356   
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)
BDBM50088356
PNG
(1,3-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-4,5...)
Show SMILES OC1CC(CC(OC(=O)\C=C/c2ccc(O)c(O)c2)C1O)(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3-,8-4-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.08E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer


J Med Chem 43: 2100-14 (2000)


BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50088356
PNG
(1,3-Bis-[3-(3,4-dihydroxy-phenyl)-acryloyloxy]-4,5...)
Show SMILES OC1CC(CC(OC(=O)\C=C/c2ccc(O)c(O)c2)C1O)(OC(=O)\C=C/c1ccc(O)c(O)c1)C(O)=O
Show InChI InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(24(34)35,11-19(30)23(20)33)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,33H,11-12H2,(H,34,35)/b7-3-,8-4-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 680n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing


J Med Chem 43: 2100-14 (2000)


BindingDB Entry DOI: 10.7270/Q27D2VTS
More data for this
Ligand-Target Pair