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Articleid 50034701

Compile data set for download or QSAR
Found 4 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)
BDBM50279966
PNG
(Azidothymidine difluoromethylenephosphonate deriva...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16F2N5O12P3/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(29-8)4-28-33(26,27)30-32(24,25)11(12,13)31(21,22)23/h3,6-8H,2,4H2,1H3,(H,24,25)(H,26,27)(H,15,19,20)(H2,21,22,23)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
2.23E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory constant was determined in an HIV-1 reverse transcriptase assay in which the [3H]dTTP concentration was varied (i.e. 40, 20, 10, 6, and 4 ...


Bioorg Med Chem Lett 1: 357-360 (1991)


Article DOI: 10.1016/S0960-894X(01)80472-8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50370476
PNG
(Combivir | ZIDOVUDINE TRIPHOSPHATE)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
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UniProtKB/TrEMBL

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KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT) obtained from HIV-1-infected H9 cell cultures


Bioorg Med Chem Lett 1: 357-360 (1991)


Article DOI: 10.1016/S0960-894X(01)80472-8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50279966
PNG
(Azidothymidine difluoromethylenephosphonate deriva...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)C(F)(F)P([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H16F2N5O12P3/c1-5-3-18(10(20)15-9(5)19)8-2-6(16-17-14)7(29-8)4-28-33(26,27)30-32(24,25)11(12,13)31(21,22)23/h3,6-8H,2,4H2,1H3,(H,24,25)(H,26,27)(H,15,19,20)(H2,21,22,23)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 620n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT)


Bioorg Med Chem Lett 1: 357-360 (1991)


Article DOI: 10.1016/S0960-894X(01)80472-8
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50279965
PNG
(Azidothymidine difluoromethylenephosphonate deriva...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)OP([O-])(=O)CP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C11H18N5O12P3/c1-6-3-16(11(18)13-10(6)17)9-2-7(14-15-12)8(27-9)4-26-31(24,25)28-30(22,23)5-29(19,20)21/h3,7-9H,2,4-5H2,1H3,(H,22,23)(H,24,25)(H,13,17,18)(H2,19,20,21)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
n/an/a 6.95E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration that causes 50 % inhibition of HIV-1 peptide-derived reverse transcriptase (RT)


Bioorg Med Chem Lett 1: 357-360 (1991)


Article DOI: 10.1016/S0960-894X(01)80472-8
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%