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PubMed code 14698176

Compile data set for download or QSAR
Found 5 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)
BDBM50138406
PNG
(3TC Triphosphate | CHEMBL1230 | LAMIVUDINE | Lamiv...)
Show SMILES Nc1ccn([C@@H]2CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)n1 |r|
Show InChI InChI=1S/C8H14N3O12P3S/c9-5-1-2-11(8(12)10-5)6-4-27-7(21-6)3-20-25(16,17)23-26(18,19)22-24(13,14)15/h1-2,6-7H,3-4H2,(H,16,17)(H,18,19)(H2,9,10,12)(H2,13,14,15)/t6-,7+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/a 1.50E+4n/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Equilibrium binding constant at the active site of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 437-40 (2003)

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


(Human immunodeficiency virus 1)
BDBM50138402
PNG
(CHEMBL136440 | [(2R,5S)-5-(4-amino-5-fluoro-2-oxop...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1 |c:27|
Show InChI InChI=1S/C9H13FN3O12P3/c10-6-3-13(9(14)12-8(6)11)7-2-1-5(23-7)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-3,5,7H,4H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/t5-,7+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 3.10E+4n/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Equilibrium binding constant at the active site of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 437-40 (2003)

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


(Human immunodeficiency virus 1)
BDBM50138404
PNG
(CHEMBL138054 | [(2R,5S)-5-(4-amino-5-fluoro-2-oxop...)
Show SMILES Nc1nc(=O)n(cc1F)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C1F |c:27|
Show InChI InChI=1S/C9H12F2N3O12P3/c10-5-1-4(24-8(5)14-2-6(11)7(12)13-9(14)15)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,8H,3H2,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/t4-,8+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 6.40E+4n/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Equilibrium binding constant at the active site of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 437-40 (2003)

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


(Human immunodeficiency virus 1)
BDBM50138405
PNG
(CHEMBL341421 | [(2R,5S)-5-(4-amino-5-fluoro-2-oxop...)
Show SMILES Nc1nc(=O)n(cc1F)[C@@H]1CS[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O1
Show InChI InChI=1S/C8H13FN3O12P3S/c9-4-1-12(8(13)11-7(4)10)5-3-28-6(22-5)2-21-26(17,18)24-27(19,20)23-25(14,15)16/h1,5-6H,2-3H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t5-,6+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
KEGG
PC cid
PC sid
PDB
UniChem
PubMed
n/an/an/a 1.20E+4n/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Equilibrium binding constant at the active site of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 437-40 (2003)

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


(Human immunodeficiency virus 1)
BDBM50138403
PNG
(CHEMBL341799 | [(2R,5S)-5-(4-amino-2-oxopyrimidin-...)
Show SMILES Nc1ccn([C@H]2O[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C=C2)c(=O)n1 |c:22|
Show InChI InChI=1S/C9H14N3O12P3/c10-7-3-4-12(9(13)11-7)8-2-1-6(22-8)5-21-26(17,18)24-27(19,20)23-25(14,15)16/h1-4,6,8H,5H2,(H,17,18)(H,19,20)(H2,10,11,13)(H2,14,15,16)/t6-,8+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
n/an/an/a 1.80E+4n/an/an/an/an/a



The University of Georgia

Curated by ChEMBL


Assay Description
Equilibrium binding constant at the active site of HIV-1 reverse transcriptase


Bioorg Med Chem Lett 14: 437-40 (2003)

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