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PubMed code 24618511

Compile data set for download or QSAR
Found 6 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)
BDBM50009453
PNG
(CHEMBL259011 | CHI-1043)
Show SMILES COc1cccc2n(Cc3ccc(F)cc3)cc(C(=O)\C=C(/O)C(O)=O)c12
Show InChI InChI=1S/C20H16FNO5/c1-27-18-4-2-3-15-19(18)14(16(23)9-17(24)20(25)26)11-22(15)10-12-5-7-13(21)8-6-12/h2-9,11,24H,10H2,1H3,(H,25,26)/b17-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009448
PNG
(CHEMBL3233021)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)c2ccc(Cl)cc12
Show InChI InChI=1S/C20H13ClF3NO4/c21-13-5-6-16-14(7-13)15(17(26)8-18(27)19(28)29)10-25(16)9-11-1-3-12(4-2-11)20(22,23)24/h1-8,10,27H,9H2,(H,28,29)/b18-8-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 260n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009452
PNG
(CHEMBL3233908)
Show SMILES COc1ccc2n(Cc3c(C)cc(C)cc3C)cc(C(=O)\C=C(/O)C(O)=O)c2c1
Show InChI InChI=1S/C23H23NO5/c1-13-7-14(2)18(15(3)8-13)11-24-12-19(21(25)10-22(26)23(27)28)17-9-16(29-4)5-6-20(17)24/h5-10,12,26H,11H2,1-4H3,(H,27,28)/b22-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009451
PNG
(CHEMBL3233907)
Show SMILES COc1ccc2n(Cc3cc(C)cc(C)c3)cc(C(=O)\C=C(/O)C(O)=O)c2c1
Show InChI InChI=1S/C22H21NO5/c1-13-6-14(2)8-15(7-13)11-23-12-18(20(24)10-21(25)22(26)27)17-9-16(28-3)4-5-19(17)23/h4-10,12,25H,11H2,1-3H3,(H,26,27)/b21-10-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.09E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009449
PNG
(CHEMBL3233898)
Show SMILES OC(=O)C(\O)=C\C(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)c2ccc(F)cc12
Show InChI InChI=1S/C20H13F4NO4/c21-13-5-6-16-14(7-13)15(17(26)8-18(27)19(28)29)10-25(16)9-11-1-3-12(4-2-11)20(22,23)24/h1-8,10,27H,9H2,(H,28,29)/b18-8-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.55E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)
BDBM50009450
PNG
(CHEMBL3233902)
Show SMILES Cc1cc(C)c(Cn2cc(C(=O)\C=C(/O)C(O)=O)c3cc(F)ccc23)c(C)c1
Show InChI InChI=1S/C22H20FNO4/c1-12-6-13(2)17(14(3)7-12)10-24-11-18(20(25)9-21(26)22(27)28)16-8-15(23)4-5-19(16)24/h4-9,11,26H,10H2,1-3H3,(H,27,28)/b21-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.51E+3n/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 integrase strand transfer activity using 3'-end biotin labelled oligonucleotide/5'-end digoxigenin labelled oligonucleotide as su...


Bioorg Med Chem 22: 2269-79 (2014)


Article DOI: 10.1016/j.bmc.2014.02.012
BindingDB Entry DOI: 10.7270/Q2902598
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%