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PubMed code 16913721

Compile data set for download or QSAR
Found 11 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 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193526
PNG
(CHEMBL212448 | methyl 5-(1-(3,7-dimethyl-2-oxo-2,3...)
Show SMILES COC(=O)CCC\C=C(\c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2oc(=O)n(C)c2c1
Show InChI InChI=1S/C26H29NO7/c1-15-11-17(13-20(23(15)32-5)25(29)33-6)19(9-7-8-10-22(28)31-4)18-12-16(2)24-21(14-18)27(3)26(30)34-24/h9,11-14H,7-8,10H2,1-6H3/b19-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50173813
PNG
((E)-5-[1-(3-cyanophenyl)-5-methoxycarbonylpent-1-e...)
Show SMILES COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c(OC)c(c1)C(=O)OC
Show InChI InChI=1S/C24H25NO5/c1-16-12-19(14-21(23(16)29-3)24(27)30-4)20(10-5-6-11-22(26)28-2)18-9-7-8-17(13-18)15-25/h7-10,12-14H,5-6,11H2,1-4H3/b20-10+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 540n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193524
PNG
((Z)-5-[1-(4-cyanophenyl)-5-methoxycarbonylpent-1-e...)
Show SMILES COC(=O)CCC\C=C(\c1ccc(cc1)C#N)c1cc(C)c2onc(OC)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-15-12-18(13-20-22(15)29-25-23(20)28-3)19(6-4-5-7-21(26)27-2)17-10-8-16(14-24)9-11-17/h6,8-13H,4-5,7H2,1-3H3/b19-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 700n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193525
PNG
((Z)-6-(4-cyanophenyl)-6-(2,3-dihydro-3,7-dimethyl-...)
Show SMILES COC(=O)CCC\C=C(\c1ccc(cc1)C#N)c1cc(C)c2oc(=O)n(C)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-15-12-18(13-20-22(15)29-23(27)25(20)2)19(6-4-5-7-21(26)28-3)17-10-8-16(14-24)9-11-17/h6,8-13H,4-5,7H2,1-3H3/b19-6-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193519
PNG
(5-[1-(2,3-dihydro-2,7-dimethyl-3-oxobenzo[d]isoxaz...)
Show SMILES COC(=O)CCC\C=C(/c1cc(C)c(OC)c(c1)C(=O)OC)c1cc(C)c2on(C)c(=O)c2c1
Show InChI InChI=1S/C26H29NO7/c1-15-11-18(14-21(23(15)32-5)26(30)33-6)19(9-7-8-10-22(28)31-4)17-12-16(2)24-20(13-17)25(29)27(3)34-24/h9,11-14H,7-8,10H2,1-6H3/b19-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193521
PNG
((Z)-6-(3-cyanophenyl)-6-(2,3-dihydro-3,7-dimethyl-...)
Show SMILES COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-15-11-18(13-20-22(15)29-23(27)25(20)2)19(9-4-5-10-21(26)28-3)17-8-6-7-16(12-17)14-24/h6-9,11-13H,4-5,10H2,1-3H3/b19-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193520
PNG
((E)-5-[1-(3-methoxy-7-methyl-benzo[d]isoxazol-5-yl...)
Show SMILES COc1noc2c(C)cc(cc12)C(=C/CCN1CCOC1=O)\c1cc(C)c2on(C)c(=O)c2c1
Show InChI InChI=1S/C25H25N3O6/c1-14-10-16(12-19-21(14)33-26-23(19)31-4)18(6-5-7-28-8-9-32-25(28)30)17-11-15(2)22-20(13-17)24(29)27(3)34-22/h6,10-13H,5,7-9H2,1-4H3/b18-6+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.60E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193527
PNG
((Z)-5-[1-(2,3-dihydro-2,7-dimethyl-3-oxobenzo[d]is...)
Show SMILES COC(=O)c1cc(cc(C)c1OC)C(=C/CCN1CCOC1=O)\c1cc(C)c2on(C)c(=O)c2c1
Show InChI InChI=1S/C26H28N2O7/c1-15-11-18(14-21(22(15)32-4)25(30)33-5)19(7-6-8-28-9-10-34-26(28)31)17-12-16(2)23-20(13-17)24(29)27(3)35-23/h7,11-14H,6,8-10H2,1-5H3/b19-7-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.86E+3n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50411100
PNG
(CHEMBL2096838)
Show SMILES COC(=O)CCC\C=C(/c1cccc(c1)C#N)c1cc(C)c2oc(=O)n(C)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-15-11-18(13-20-22(15)29-23(27)25(20)2)19(9-4-5-10-21(26)28-3)17-8-6-7-16(12-17)14-24/h6-9,11-13H,4-5,10H2,1-3H3/b19-9+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.64E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193522
PNG
(CHEMBL214489 | methyl 6-(3,7-dimethyl-2-oxo-2,3-di...)
Show SMILES COC(=O)CCC\C=C(/c1cc(C)c2oc(=O)n(C)c2c1)c1cc(C)c2on(C)c(=O)c2c1
Show InChI InChI=1S/C25H26N2O6/c1-14-10-16(12-19-22(14)33-27(4)24(19)29)18(8-6-7-9-21(28)31-5)17-11-15(2)23-20(13-17)26(3)25(30)32-23/h8,10-13H,6-7,9H2,1-5H3/b18-8-
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 4.92E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50193523
PNG
((E)-6-(3-cyanophenyl)-6-(2,3-dihydro-2,7-dimethyl-...)
Show SMILES COC(=O)CCC\C=C(\c1cccc(c1)C#N)c1cc(C)c2on(C)c(=O)c2c1
Show InChI InChI=1S/C23H22N2O4/c1-15-11-18(13-20-22(15)29-25(2)23(20)27)19(9-4-5-10-21(26)28-3)17-8-6-7-16(12-17)14-24/h6-9,11-13H,4-5,10H2,1-3H3/b19-9-
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.96E+4n/an/an/an/an/an/a



Purdue University

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV1 reverse transcriptase measured as inhibition of incorporation of [32P]GTP in rCDG primer


J Med Chem 49: 5316-23 (2006)


Article DOI: 10.1021/jm060449o
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%