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PubMed code 15546736

Compile data set for download or QSAR
Found 16 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)
BDBM2939
PNG
(4-(2-cyclopropylethynyl)-5-fluoro-4-(trifluorometh...)
Show SMILES Fc1cccc2NC(=O)OC(C#CC3CC3)(c12)C(F)(F)F
Show InChI InChI=1S/C14H9F4NO2/c15-9-2-1-3-10-11(9)13(14(16,17)18,21-12(20)19-10)7-6-8-4-5-8/h1-3,8H,4-5H2,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 78n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2942
PNG
(5-fluoro-4-(3-methylbut-1-yn-1-yl)-4-(trifluoromet...)
Show SMILES CC(C)C#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO2/c1-8(2)6-7-13(14(16,17)18)11-9(15)4-3-5-10(11)19-12(20)21-13/h3-5,8H,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 102n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2940
PNG
(4-(but-1-yn-1-yl)-5-fluoro-4-(trifluoromethyl)-2,4...)
Show SMILES CCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
Show InChI InChI=1S/C13H9F4NO2/c1-2-3-7-12(13(15,16)17)10-8(14)5-4-6-9(10)18-11(19)20-12/h4-6H,2H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 127n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2941
PNG
(5-fluoro-4-(pent-1-yn-1-yl)-4-(trifluoromethyl)-2,...)
Show SMILES CCCC#CC1(OC(=O)Nc2cccc(F)c12)C(F)(F)F
Show InChI InChI=1S/C14H11F4NO2/c1-2-3-4-8-13(14(16,17)18)11-9(15)6-5-7-10(11)19-12(20)21-13/h5-7H,2-3H2,1H3,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 156n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2946
PNG
(4-(3-methylbut-1-yn-1-yl)-6-nitro-4-(trifluorometh...)
Show SMILES CC(C)C#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O4/c1-8(2)5-6-13(14(15,16)17)10-7-9(19(21)22)3-4-11(10)18-12(20)23-13/h3-4,7-8H,1-2H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 199n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2943
PNG
(4-(2-cyclopropylethynyl)-6-nitro-4-(trifluoromethy...)
Show SMILES [O-][N+](=O)c1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H9F3N2O4/c15-14(16,17)13(6-5-8-1-2-8)10-7-9(19(21)22)3-4-11(10)18-12(20)23-13/h3-4,7-8H,1-2H2,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 209n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2944
PNG
(4-(but-1-yn-1-yl)-6-nitro-4-(trifluoromethyl)-2,4-...)
Show SMILES CCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C13H9F3N2O4/c1-2-3-6-12(13(14,15)16)9-7-8(18(20)21)4-5-10(9)17-11(19)22-12/h4-5,7H,2H2,1H3,(H,17,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 276n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2945
PNG
(6-nitro-4-(pent-1-yn-1-yl)-4-(trifluoromethyl)-2,4...)
Show SMILES CCCC#CC1(OC(=O)Nc2ccc(cc12)[N+]([O-])=O)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O4/c1-2-3-4-7-13(14(15,16)17)10-8-9(19(21)22)5-6-11(10)18-12(20)23-13/h5-6,8H,2-3H2,1H3,(H,18,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 304n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2952
PNG
(6-(methylamino)-4-(3-methylbut-1-yn-1-yl)-4-(trifl...)
Show SMILES CNc1ccc2NC(=O)OC(C#CC(C)C)(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H15F3N2O2/c1-9(2)6-7-14(15(16,17)18)11-8-10(19-3)4-5-12(11)20-13(21)22-14/h4-5,8-9,19H,1-3H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 473n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2951
PNG
(4-(2-cyclopropylethynyl)-6-(methylamino)-4-(triflu...)
Show SMILES CNc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
Show InChI InChI=1S/C15H13F3N2O2/c1-19-10-4-5-12-11(8-10)14(15(16,17)18,22-13(21)20-12)7-6-9-2-3-9/h4-5,8-9,19H,2-3H2,1H3,(H,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 608n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2947
PNG
(6-amino-4-(2-cyclopropylethynyl)-4-(trifluoromethy...)
Show SMILES Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
Show InChI InChI=1S/C14H11F3N2O2/c15-14(16,17)13(6-5-8-1-2-8)10-7-9(18)3-4-11(10)19-12(20)21-13/h3-4,7-8H,1-2,18H2,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 802n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2950
PNG
(6-amino-4-(3-methylbut-1-yn-1-yl)-4-(trifluorometh...)
Show SMILES CC(C)C#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-8(2)5-6-13(14(15,16)17)10-7-9(18)3-4-11(10)19-12(20)21-13/h3-4,7-8H,18H2,1-2H3,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 896n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2949
PNG
(6-amino-4-(pent-1-yn-1-yl)-4-(trifluoromethyl)-2,4...)
Show SMILES CCCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
Show InChI InChI=1S/C14H13F3N2O2/c1-2-3-4-7-13(14(15,16)17)10-8-9(18)5-6-11(10)19-12(20)21-13/h5-6,8H,2-3,18H2,1H3,(H,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.51E+3n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2948
PNG
(6-amino-4-(but-1-yn-1-yl)-4-(trifluoromethyl)-2,4-...)
Show SMILES CCC#CC1(OC(=O)Nc2ccc(N)cc12)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O2/c1-2-3-6-12(13(14,15)16)9-7-8(17)4-5-10(9)18-11(19)20-12/h4-5,7H,2,17H2,1H3,(H,18,19)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem
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PubMed
n/an/a 1.89E+3n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2954
PNG
(Benzoxazinone deriv. 8b | CHEMBL111598 | N-[4-(3-m...)
Show SMILES CC(C)C#CC1(OC(=O)Nc2ccc(NC(C)=O)cc12)C(F)(F)F
Show InChI InChI=1S/C16H15F3N2O3/c1-9(2)6-7-15(16(17,18)19)12-8-11(20-10(3)22)4-5-13(12)21-14(23)24-15/h4-5,8-9H,1-3H3,(H,20,22)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

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



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2953
PNG
(Benzoxazinone deriv. 8a | CHEMBL111492 | N-[4-(2-c...)
Show SMILES CC(=O)Nc1ccc2NC(=O)OC(C#CC3CC3)(c2c1)C(F)(F)F
Show InChI InChI=1S/C16H13F3N2O3/c1-9(22)20-11-4-5-13-12(8-11)15(16(17,18)19,24-14(23)21-13)7-6-10-2-3-10/h4-5,8,10H,2-3H2,1H3,(H,20,22)(H,21,23)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



S.G.S.I.T.S.

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 6089-94 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.068
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%