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PubMed code 9873592

Compile data set for download or QSAR
Found 44 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)
BDBM50071777
PNG
(5-bromo-2-({6-[(4-bromo-2-carboxyphenyl)amino]-6-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C20H18Br2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071776
PNG
(2-({6-[(2-carboxy-4-chlorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C20H18Cl2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.80E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071773
PNG
(2-[5-(2-carboxy-4-chlorophenylcarbamoyl)pentylcarb...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071777
PNG
(5-bromo-2-({6-[(4-bromo-2-carboxyphenyl)amino]-6-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C20H18Br2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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n/an/a 3.10E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071766
PNG
(5-bromo-2-[5-(4-bromo-2-carboxyphenylcarbamoyl)pen...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H20Br2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 3.80E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071768
PNG
(2-({6-[(2-carboxy-4-iodophenyl)amino]-6-oxohexanoy...)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)CCCCC(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C20H18I2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
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n/an/a 4.10E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071766
PNG
(5-bromo-2-[5-(4-bromo-2-carboxyphenylcarbamoyl)pen...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H20Br2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 4.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071771
PNG
(5-bromo-2-{[(5-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H13Br2N3O6/c22-11-2-5-15(13(7-11)20(29)30)25-18(27)10-1-4-17(24-9-10)19(28)26-16-6-3-12(23)8-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

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DrugBank
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PC cid
PC sid
UniChem
PubMed
n/an/a 5.50E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071767
PNG
(2-({6-[(2-carboxy-4-hydroxyphenyl)amino]-6-oxohexa...)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)CCCCC(=O)Nc1ccc(O)cc1C(O)=O
Show InChI InChI=1S/C20H20N2O8/c23-11-5-7-15(13(9-11)19(27)28)21-17(25)3-1-2-4-18(26)22-16-8-6-12(24)10-14(16)20(29)30/h5-10,23-24H,1-4H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 6.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071779
PNG
(2-[4-(2-carboxy-4-methylsulfanylphenylcarbamoyl)bu...)
Show SMILES CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6S2/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.90E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071762
PNG
(5-bromo-2-({5-[(4-bromo-2-carboxyphenyl)amino]-5-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C19H16Br2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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n/an/a 7.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071761
PNG
(5-bromo-2-[6-(4-bromo-2-carboxyphenylcarbamoyl)hex...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H22Br2N2O6/c23-13-7-9-17(15(11-13)21(29)30)25-19(27)5-3-1-2-4-6-20(28)26-18-10-8-14(24)12-16(18)22(31)32/h7-12H,1-6H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
PC sid
UniChem
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n/an/a 7.40E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 microg/ml


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071778
PNG
(2-[4-(2-carboxy-4-trifluoromethylphenylcarbamoyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O6/c23-21(24,25)11-5-7-15(13(9-11)19(33)34)29-17(31)3-1-2-4-18(32)30-16-8-6-12(22(26,27)28)10-14(16)20(35)36/h5-10H,1-4H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.30E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071768
PNG
(2-({6-[(2-carboxy-4-iodophenyl)amino]-6-oxohexanoy...)
Show SMILES OC(=O)c1cc(I)ccc1NC(=O)CCCCC(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C20H18I2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071774
PNG
(2-({5-[(2-carboxy-4-chlorophenyl)amino]-5-oxopenta...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C19H16Cl2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 8.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071776
PNG
(2-({6-[(2-carboxy-4-chlorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C20H18Cl2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 8.70E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071773
PNG
(2-[5-(2-carboxy-4-chlorophenylcarbamoyl)pentylcarb...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C21H20Cl2N2O6/c22-12-6-8-16(14(10-12)20(28)29)24-18(26)4-2-1-3-5-19(27)25-17-9-7-13(23)11-15(17)21(30)31/h6-11H,1-5H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem
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n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071763
PNG
(2-({6-[(2-carboxyphenyl)amino]-6-oxohexanoyl}amino...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N2O6/c23-17(21-15-9-3-1-7-13(15)19(25)26)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20(27)28/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071770
PNG
(2-[4-(2-carboxy-4-methylphenylcarbamoyl)butylcarbo...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6/c1-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
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n/an/a 9.20E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071774
PNG
(2-({5-[(2-carboxy-4-chlorophenyl)amino]-5-oxopenta...)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)CCCC(=O)Nc1ccc(Cl)cc1C(O)=O
Show InChI InChI=1S/C19H16Cl2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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n/an/a 9.60E+3n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071762
PNG
(5-bromo-2-({5-[(4-bromo-2-carboxyphenyl)amino]-5-o...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C19H16Br2N2O6/c20-10-4-6-14(12(8-10)18(26)27)22-16(24)2-1-3-17(25)23-15-7-5-11(21)9-13(15)19(28)29/h4-9H,1-3H2,(H,22,24)(H,23,25)(H,26,27)(H,28,29)
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n/an/a 1.00E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071765
PNG
(2-[4-(2-carboxy-4-methoxyphenylcarbamoyl)butylcarb...)
Show SMILES COc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O8/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.06E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071778
PNG
(2-[4-(2-carboxy-4-trifluoromethylphenylcarbamoyl)b...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18F6N2O6/c23-21(24,25)11-5-7-15(13(9-11)19(33)34)29-17(31)3-1-2-4-18(32)30-16-8-6-12(22(26,27)28)10-14(16)20(35)36/h5-10H,1-4H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)
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n/an/a 1.20E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071780
PNG
(5-bromo-2-[(3-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H14Br2N2O6/c23-13-4-6-17(15(9-13)21(29)30)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(24)10-16(18)22(31)32/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071770
PNG
(2-[4-(2-carboxy-4-methylphenylcarbamoyl)butylcarbo...)
Show SMILES Cc1ccc(NC(=O)CCCCC(=O)Nc2ccc(C)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6/c1-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.40E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071760
PNG
(5-bromo-2-{[(3-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)Cc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C23H16Br2N2O6/c24-14-4-6-18(16(10-14)22(30)31)26-20(28)9-12-2-1-3-13(8-12)21(29)27-19-7-5-15(25)11-17(19)23(32)33/h1-8,10-11H,9H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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n/an/a 1.50E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071764
PNG
(5-Bromo-2-[5-(4-bromo-phenylcarbamoyl)-pentanoylam...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2O4/c20-12-5-8-14(9-6-12)22-17(24)3-1-2-4-18(25)23-16-10-7-13(21)11-15(16)19(26)27/h5-11H,1-4H2,(H,22,24)(H,23,25)(H,26,27)
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n/an/a 1.50E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071772
PNG
(5-bromo-2-[(2-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccnc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H13Br2N3O6/c22-11-1-3-15(13(8-11)20(29)30)25-18(27)10-5-6-24-17(7-10)19(28)26-16-4-2-12(23)9-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.70E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071761
PNG
(5-bromo-2-[6-(4-bromo-2-carboxyphenylcarbamoyl)hex...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCCCC(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H22Br2N2O6/c23-13-7-9-17(15(11-13)21(29)30)25-19(27)5-3-1-2-4-6-20(28)26-18-10-8-14(24)12-16(18)22(31)32/h7-12H,1-6H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.80E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-1 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071780
PNG
(5-bromo-2-[(3-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C22H14Br2N2O6/c23-13-4-6-17(15(9-13)21(29)30)25-19(27)11-2-1-3-12(8-11)20(28)26-18-7-5-14(24)10-16(18)22(31)32/h1-10H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071779
PNG
(2-[4-(2-carboxy-4-methylsulfanylphenylcarbamoyl)bu...)
Show SMILES CSc1ccc(NC(=O)CCCCC(=O)Nc2ccc(SC)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C22H24N2O6S2/c1-31-13-7-9-17(15(11-13)21(27)28)23-19(25)5-3-4-6-20(26)24-18-10-8-14(32-2)12-16(18)22(29)30/h7-12H,3-6H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
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n/an/a 1.90E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071760
PNG
(5-bromo-2-{[(3-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)Cc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C23H16Br2N2O6/c24-14-4-6-18(16(10-14)22(30)31)26-20(28)9-12-2-1-3-13(8-12)21(29)27-19-7-5-15(25)11-17(19)23(32)33/h1-8,10-11H,9H2,(H,26,28)(H,27,29)(H,30,31)(H,32,33)
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071763
PNG
(2-({6-[(2-carboxyphenyl)amino]-6-oxohexanoyl}amino...)
Show SMILES OC(=O)c1ccccc1NC(=O)CCCCC(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C20H20N2O6/c23-17(21-15-9-3-1-7-13(15)19(25)26)11-5-6-12-18(24)22-16-10-4-2-8-14(16)20(27)28/h1-4,7-10H,5-6,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)
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n/an/a 2.10E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071764
PNG
(5-Bromo-2-[5-(4-bromo-phenylcarbamoyl)-pentanoylam...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)CCCCC(=O)Nc1ccc(Br)cc1
Show InChI InChI=1S/C19H18Br2N2O4/c20-12-5-8-14(9-6-12)22-17(24)3-1-2-4-18(25)23-16-10-7-13(21)11-15(16)19(26)27/h5-11H,1-4H2,(H,22,24)(H,23,25)(H,26,27)
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n/an/a 3.20E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071771
PNG
(5-bromo-2-{[(5-{[(4-bromo-2-carboxyphenyl)amino]ca...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(nc1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H13Br2N3O6/c22-11-2-5-15(13(7-11)20(29)30)25-18(27)10-1-4-17(24-9-10)19(28)26-16-6-3-12(23)8-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 3.50E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071772
PNG
(5-bromo-2-[(2-{[(4-bromo-2-carboxyphenyl)amino]car...)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccnc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C21H13Br2N3O6/c22-11-1-3-15(13(8-11)20(29)30)25-18(27)10-5-6-24-17(7-10)19(28)26-16-4-2-12(23)9-14(16)21(31)32/h1-9H,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a 6.60E+4n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071775
PNG
(2-[4-(2-carboxy-4-methylcarboxamidophenylcarbamoyl...)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(NC(C)=O)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26N4O8/c1-13(29)25-15-7-9-19(17(11-15)23(33)34)27-21(31)5-3-4-6-22(32)28-20-10-8-16(26-14(2)30)12-18(20)24(35)36/h7-12H,3-6H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)(H,35,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071759
PNG
(2-({6-[(2-carboxy-4-cyanophenyl)amino]-6-oxohexano...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C#N)C#N
Show InChI InChI=1S/C22H18N4O6/c23-11-13-5-7-17(15(9-13)21(29)30)25-19(27)3-1-2-4-20(28)26-18-8-6-14(12-24)10-16(18)22(31)32/h5-10H,1-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-2 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 ug/mL


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071775
PNG
(2-[4-(2-carboxy-4-methylcarboxamidophenylcarbamoyl...)
Show SMILES CC(=O)Nc1ccc(NC(=O)CCCCC(=O)Nc2ccc(NC(C)=O)cc2C(O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C24H26N4O8/c1-13(29)25-15-7-9-19(17(11-15)23(33)34)27-21(31)5-3-4-6-22(32)28-20-10-8-16(26-14(2)30)12-18(20)24(35)36/h7-12H,3-6H2,1-2H3,(H,25,29)(H,26,30)(H,27,31)(H,28,32)(H,33,34)(H,35,36)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of HIV-1 reverse transcriptase using rC.dG and [3H]-dGTP as substrates at 100 microg/ml


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071759
PNG
(2-({6-[(2-carboxy-4-cyanophenyl)amino]-6-oxohexano...)
Show SMILES OC(=O)c1cc(ccc1NC(=O)CCCCC(=O)Nc1ccc(cc1C(O)=O)C#N)C#N
Show InChI InChI=1S/C22H18N4O6/c23-11-13-5-7-17(15(9-13)21(29)30)25-19(27)3-1-2-4-20(28)26-18-8-6-14(12-24)10-16(18)22(31)32/h5-10H,1-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071769
PNG
(2-({6-[(2-carboxy-4-fluorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)CCCCC(=O)Nc1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C20H18F2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-2 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071769
PNG
(2-({6-[(2-carboxy-4-fluorophenyl)amino]-6-oxohexan...)
Show SMILES OC(=O)c1cc(F)ccc1NC(=O)CCCCC(=O)Nc1ccc(F)cc1C(O)=O
Show InChI InChI=1S/C20H18F2N2O6/c21-11-5-7-15(13(9-11)19(27)28)23-17(25)3-1-2-4-18(26)24-16-8-6-12(22)10-14(16)20(29)30/h5-10H,1-4H2,(H,23,25)(H,24,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.20E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50071767
PNG
(2-({6-[(2-carboxy-4-hydroxyphenyl)amino]-6-oxohexa...)
Show SMILES OC(=O)c1cc(O)ccc1NC(=O)CCCCC(=O)Nc1ccc(O)cc1C(O)=O
Show InChI InChI=1S/C20H20N2O8/c23-11-5-7-15(13(9-11)19(27)28)21-17(25)3-1-2-4-18(26)22-16-8-6-12(24)10-14(16)20(29)30/h5-10,23-24H,1-4H2,(H,21,25)(H,22,26)(H,27,28)(H,29,30)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.20E+5n/an/an/an/an/an/a



GlaxoWellcome Medicines Research Center

Curated by ChEMBL


Assay Description
Evaluated for inhibition of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 8: 2623-8 (1999)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%