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PubMed code 16723226

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
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187771
PNG
(7-(4-fluorobenzyl)-3-fluoro-9-hydroxy-5-methoxy-6,...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncc(F)cc12
Show InChI InChI=1S/C19H14F2N2O3/c1-26-18-13-6-12(21)7-22-16(13)17(24)15-14(18)9-23(19(15)25)8-10-2-4-11(20)5-3-10/h2-7,24H,8-9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.20n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187770
PNG
(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-...)
Show SMILES CN(C)S(=O)(=O)Oc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2nccnc12
Show InChI InChI=1S/C19H17FN4O5S/c1-23(2)30(27,28)29-18-13-10-24(9-11-3-5-12(20)6-4-11)19(26)14(13)17(25)15-16(18)22-8-7-21-15/h3-8,25H,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 33n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM23403
PNG
(7-[(4-fluorophenyl)methyl]-9-hydroxy-5-methoxy-6H,...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C19H15FN2O3/c1-25-18-13-3-2-8-21-16(13)17(23)15-14(18)10-22(19(15)24)9-11-4-6-12(20)7-5-11/h2-8,23H,9-10H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 50n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187773
PNG
(7-(4-fluorobenzyl)-9-hydroxy-3,5-dimethoxy-6,7-dih...)
Show SMILES COc1cnc2c(O)c3C(=O)N(Cc4ccc(F)cc4)Cc3c(OC)c2c1
Show InChI InChI=1S/C20H17FN2O4/c1-26-13-7-14-17(22-8-13)18(24)16-15(19(14)27-2)10-23(20(16)25)9-11-3-5-12(21)6-4-11/h3-8,24H,9-10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 93n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187769
PNG
(7-(4-fluorobenzyl)-5-hydroxy-9-methoxy-7,8-dihydro...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2nccnc12
Show InChI InChI=1S/C18H14FN3O3/c1-25-17-12-9-22(8-10-2-4-11(19)5-3-10)18(24)13(12)16(23)14-15(17)21-7-6-20-14/h2-7,23H,8-9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 210n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187187
PNG
(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-...)
Show SMILES CN(C)S(=O)(=O)Oc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C20H18FN3O5S/c1-23(2)30(27,28)29-19-14-4-3-9-22-17(14)18(25)16-15(19)11-24(20(16)26)10-12-5-7-13(21)8-6-12/h3-9,25H,10-11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 255n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187772
PNG
(7-(4-fluoro-benzyl)-5-hydroxy-9-methoxy-1,2,3,4,7,...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2NCCNc12
Show InChI InChI=1S/C18H18FN3O3/c1-25-17-12-9-22(8-10-2-4-11(19)5-3-10)18(24)13(12)16(23)14-15(17)21-7-6-20-14/h2-5,20-21,23H,6-9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 850n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 integrase


(Human immunodeficiency virus 1)
BDBM50187774
PNG
(6-(4-fluorobenzyl)-1-benzyl-4-hydroxy-8-methoxy-6,...)
Show SMILES COc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncn(Cc3ccccc3)c12
Show InChI InChI=1S/C24H20FN3O3/c1-31-23-18-13-27(11-16-7-9-17(25)10-8-16)24(30)19(18)22(29)20-21(23)28(14-26-20)12-15-5-3-2-4-6-15/h2-10,14,29H,11-13H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity in HIV1 integrase


Bioorg Med Chem Lett 16: 3985-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.018
BindingDB Entry DOI: 10.7270/Q25T3K3Z
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%