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2 similar compounds to monomer 50076266

Compile data set for download or QSAR
Wt: 554.4
BDBM50076265
Wt: 582.5
BDBM50076270

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50076265,50076270   
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)
BDBM50076265
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H26O12/c1-17(29)37-23-9-5-21(15-25(23)39-19(3)31)7-11-27(33)35-13-14-36-28(34)12-8-22-6-10-24(38-18(2)30)26(16-22)40-20(4)32/h5-12,15-16H,13-14H2,1-4H3/b11-7+,12-8+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076270
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](C)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30O12/c1-17(37-29(35)13-9-23-7-11-25(39-19(3)31)27(15-23)41-21(5)33)18(2)38-30(36)14-10-24-8-12-26(40-20(4)32)28(16-24)42-22(6)34/h7-18H,1-6H3/b13-9+,14-10+/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory concentration against HIV-1 integrase by radiolabeled oligonucleotide-based assay 3''-processing


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076270
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid (1S,2S)-...)
Show SMILES C[C@H](OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1)[C@H](C)OC(=O)\C=C\c1ccc(OC(C)=O)c(OC(C)=O)c1
Show InChI InChI=1S/C30H30O12/c1-17(37-29(35)13-9-23-7-11-25(39-19(3)31)27(15-23)41-21(5)33)18(2)38-30(36)14-10-24-8-12-26(40-20(4)32)28(16-24)42-22(6)34/h7-18H,1-6H3/b13-9+,14-10+/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.33E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50076265
PNG
((E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 2-[(E)-3...)
Show SMILES CC(=O)Oc1ccc(\C=C\C(=O)OCCOC(=O)\C=C\c2ccc(OC(C)=O)c(OC(C)=O)c2)cc1OC(C)=O
Show InChI InChI=1S/C28H26O12/c1-17(29)37-23-9-5-21(15-25(23)39-19(3)31)7-11-27(33)35-13-14-36-28(34)12-8-22-6-10-24(38-18(2)30)26(16-22)40-20(4)32/h5-12,15-16H,13-14H2,1-4H3/b11-7+,12-8+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



National Cancer Institute-Bethesda

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase by radiolabeled oligonucleotide-based assay integration


J Med Chem 42: 1401-14 (1999)


Article DOI: 10.1021/jm980531m
BindingDB Entry DOI: 10.7270/Q2RJ4HPN
More data for this
Ligand-Target Pair