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PubMed code 12762803

Compile data set for download or QSAR
Found 8 hits of Enzyme Inhibition Constant Data   
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
Integrase


(Human immunodeficiency virus 1)
BDBM50478540
PNG
(Diplyne C sulfate)
Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCCC\C=C\Br
Show InChI InChI=1S/C16H23BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,8,10,15H2,(H,19,20,21)/b14-12+
PDB

UniProtKB/TrEMBL

B.MOAD
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KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.36E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478541
PNG
(CHEMBL468667)
Show SMILES OC(COS(O)(=O)=O)C#CC#CCCCCCCC#C\C=C\Br
Show InChI InChI=1S/C16H19BrO5S/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(18)15-22-23(19,20)21/h12,14,16,18H,1-6,15H2,(H,19,20,21)/b14-12+
PDB

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 7.43E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478539
PNG
(CHEMBL468248)
Show SMILES OS(=O)(=O)OCCC#CC#CCCCCC#CC#C\C=C\Br
Show InChI InChI=1S/C16H15BrO4S/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-21-22(18,19)20/h13,15H,1-4,14,16H2,(H,18,19,20)/b15-13+
PDB

UniProtKB/TrEMBL

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UniChem
Article
PubMed
n/an/a 7.82E+4n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478543
PNG
(Diplyne C)
Show SMILES OCC(O)C#CC#CCCCCCCCC\C=C\Br
Show InChI InChI=1S/C16H23BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,8,10,15H2/b14-12+
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.52E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478542
PNG
(DIPLYNE A)
Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C\Br
Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12+
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.54E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478538
PNG
(Diplyne B)
Show SMILES OCC(O)C#CC#CCCCCCCC#C\C=C/Br
Show InChI InChI=1S/C16H19BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-6,15H2/b14-12-
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.54E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478544
PNG
(Diplyne E)
Show SMILES OCC(O)C#CC#CCCCC\C=C\C#C\C=C\Br
Show InChI InChI=1S/C16H17BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h4,6,12,14,16,18-19H,1-3,5,15H2/b6-4+,14-12+
PDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem
Article
PubMed
n/an/a>1.55E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50478537
PNG
(Diplyne D)
Show SMILES OCC(O)C#CC#CCCCCC#CC#C\C=C\Br
Show InChI InChI=1S/C16H15BrO2/c17-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16(19)15-18/h12,14,16,18-19H,1-3,5,15H2/b14-12+
PDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.56E+5n/an/an/an/an/an/a



University of California at San Diego

Curated by ChEMBL


Assay Description
Inhibition of HIV1 recombinant integrase


J Nat Prod 66: 667-70 (2003)


Article DOI: 10.1021/np020544+
BindingDB Entry DOI: 10.7270/Q2RR2212
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%