BindingDB logo
myBDB logout

PubMed code 16723225

Compile data set for download or QSAR
Found 13 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)		BDBM50187761
PNG
(7-(4-fluorobenzyl)-9-hydroxy-5-(morpholine-4-carbo...)
Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2c(C(=O)N2CCOCC2)c2cccnc12
Show InChI InChI=1S/C23H20FN3O4/c24-15-5-3-14(4-6-15)12-27-13-17-18(22(29)26-8-10-31-11-9-26)16-2-1-7-25-20(16)21(28)19(17)23(27)30/h1-7,28H,8-13H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM23402
PNG
(5-(1,1-dioxo-1,2-thiazinan-2-yl)-N-[(4-fluoropheny...)
Show SMILES Oc1c(nc(N2CCCCS2(=O)=O)c2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C20H19FN4O4S/c21-14-7-5-13(6-8-14)12-23-20(27)17-18(26)16-15(4-3-9-22-16)19(24-17)25-10-1-2-11-30(25,28)29/h3-9,26H,1-2,10-12H2,(H,23,27)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem

Patents

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



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187760
PNG
(7-(4-fluorobenzyl)-9-hydroxy-6,7-dihydropyrrolo[3,...)
Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2cc2cccnc12
Show InChI InChI=1S/C18H13FN2O2/c19-14-5-3-11(4-6-14)9-21-10-13-8-12-2-1-7-20-16(12)17(22)15(13)18(21)23/h1-8,22H,9-10H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187764
PNG
(7-(4-fluorobenzyl)-9-hydroxy-5-methoxy-6H-pyrrolo[...)
Show SMILES COc1c2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C19H13FN2O4/c1-26-17-12-3-2-8-21-15(12)16(23)13-14(17)19(25)22(18(13)24)9-10-4-6-11(20)7-5-10/h2-8,23H,9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 80n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187759
PNG
(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-N-(pyridin-2-yl...)
Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2c(C(=O)NCc2ccccn2)c2cccnc12
Show InChI InChI=1S/C25H19FN4O3/c26-16-8-6-15(7-9-16)13-30-14-19-20(24(32)29-12-17-4-1-2-10-27-17)18-5-3-11-28-22(18)23(31)21(19)25(30)33/h1-11,31H,12-14H2,(H,29,32)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187765
PNG
(5-(2,6-difluorophenyl)-7-(4-fluorobenzyl)-9-hydrox...)
Show SMILES Oc1c2C(=O)N(Cc3ccc(F)cc3)Cc2c(-c2c(F)cccc2F)c2cccnc12 |(-1.61,-44.23,;-1.62,-42.69,;-2.95,-41.93,;-4.42,-42.4,;-4.9,-43.87,;-5.33,-41.15,;-6.67,-41.92,;-8,-41.14,;-7.98,-39.61,;-9.31,-38.83,;-10.65,-39.59,;-11.98,-38.81,;-10.66,-41.14,;-9.33,-41.91,;-4.41,-39.9,;-2.94,-40.38,;-1.61,-39.61,;-1.61,-38.07,;-.28,-37.31,;1.06,-38.08,;-.28,-35.77,;-1.61,-35,;-2.95,-35.78,;-2.94,-37.32,;-4.27,-38.09,;-.28,-40.39,;1.04,-39.61,;2.38,-40.37,;2.39,-41.93,;1.04,-42.7,;-.29,-41.93,)|
Show InChI InChI=1S/C24H15F3N2O2/c25-14-8-6-13(7-9-14)11-29-12-16-19(21-17(26)4-1-5-18(21)27)15-3-2-10-28-22(15)23(30)20(16)24(29)31/h1-10,30H,11-12H2
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 335n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187767
PNG
(CHEMBL378395 | ethyl 2-(7-(4-fluorobenzyl)-9-hydro...)
Show SMILES CCOC(=O)c1ccccc1-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12 |(27.2,-19.28,;28.36,-20.3,;28.07,-21.81,;29.23,-22.82,;28.93,-24.33,;30.69,-22.32,;30.68,-20.78,;32.02,-20,;33.36,-20.77,;33.36,-22.31,;32.02,-23.08,;32.02,-24.62,;30.69,-25.39,;29.22,-24.9,;28.3,-26.16,;26.96,-26.93,;25.63,-26.15,;25.65,-24.61,;24.32,-23.83,;22.98,-24.59,;21.65,-23.81,;22.97,-26.14,;24.3,-26.91,;29.21,-27.4,;28.74,-28.87,;30.69,-26.93,;32.02,-27.7,;32.02,-29.24,;33.34,-26.93,;34.68,-27.7,;36.02,-26.93,;36.01,-25.38,;34.68,-24.63,;33.35,-25.39,)|
Show InChI InChI=1S/C27H21FN2O4/c1-2-34-27(33)19-7-4-3-6-18(19)22-20-8-5-13-29-24(20)25(31)23-21(22)15-30(26(23)32)14-16-9-11-17(28)12-10-16/h3-13,31H,2,14-15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 350n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187763
PNG
(7-(4-fluorobenzyl)-9-hydroxy-8-oxo-7,8-dihydro-6H-...)
Show SMILES CN(C)C(=O)Oc1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C21H18FN3O4/c1-24(2)21(28)29-19-14-4-3-9-23-17(14)18(26)16-15(19)11-25(20(16)27)10-12-5-7-13(22)8-6-12/h3-9,26H,10-11H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 760n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187758
PNG
(5-(4-ethoxyphenyl)-7-(4-fluorobenzyl)-6H-pyrrolo[3...)
Show SMILES CCOc1ccc(cc1)-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C26H21FN2O3/c1-2-32-19-11-7-17(8-12-19)22-20-4-3-13-28-24(20)25(30)23-21(22)15-29(26(23)31)14-16-5-9-18(27)10-6-16/h3-13,30H,2,14-15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187768
PNG
(CHEMBL209591 | N-(4-fluorobenzyl)-8-hydroxyquinoli...)
Show SMILES Oc1c(ccc2cccnc12)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C17H13FN2O2/c18-13-6-3-11(4-7-13)10-20-17(22)14-8-5-12-2-1-9-19-15(12)16(14)21/h1-9,21H,10H2,(H,20,22)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187762
PNG
(CHEMBL211275 | ethyl 3-(7-(4-fluorobenzyl)-9-hydro...)
Show SMILES CCOC(=O)c1cccc(c1)-c1c2CN(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C27H21FN2O4/c1-2-34-27(33)18-6-3-5-17(13-18)22-20-7-4-12-29-24(20)25(31)23-21(22)15-30(26(23)32)14-16-8-10-19(28)11-9-16/h3-13,31H,2,14-15H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
Integrase


(Human immunodeficiency virus 1)		BDBM50187766
PNG
(7-(4-fluorobenzyl)-9-hydroxy-6,8-dioxo-7,8-dihydro...)
Show SMILES CN(C)C(=O)Oc1c2C(=O)N(Cc3ccc(F)cc3)C(=O)c2c(O)c2ncccc12
Show InChI InChI=1S/C21H16FN3O5/c1-24(2)21(29)30-18-13-4-3-9-23-16(13)17(26)14-15(18)20(28)25(19(14)27)10-11-5-7-12(22)8-6-11/h3-9,26H,10H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Similars
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



Gilead Sciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of strand transfer activity of HIV integrase

Bioorg Med Chem Lett 16: 3989-92 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.016
BindingDB Entry DOI: 10.7270/Q29K49T8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%