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PubMed code 10882371

Compile data set for download or QSAR
Found 8 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)
BDBM50422306
PNG
(Phosphate Salt Of Tricyclic Nucleoside | TRICIRIBI...)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H17N6O7P/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(21)8(20)6(26-13)3-25-27(22,23)24/h2,4,6,8-9,13,20-21H,3H2,1H3,(H2,14,17)(H2,22,23,24)/t6-,8-,9-,13-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

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PC sid
PDB
UniChem
PubMed
n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369528
PNG
(NSC-154020 | TRICIRIBINE)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1
PDB
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UniProtKB/TrEMBL

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PC sid
PDB
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PubMed
n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50408925
PNG
(CHEMBL2112098)
Show SMILES Cn1nc(N)c2cn([C@H]3CC[C@@H](CO)O3)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h4,6-7,9,20H,2-3,5H2,1H3,(H2,14,17)/t7-,9+/m0/s1
PDB
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UniProtKB/TrEMBL

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PC cid
PC sid
UniChem
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50089382
PNG
(CHEMBL315509 | [4-(3-Amino-5-methyl-5H-1,4,5,6,8-p...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H]4O[C@H]34)c3ncnc1c23
Show InChI InChI=1S/C13H14N6O3/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9-8(22-9)6(3-20)21-13/h2,4,6,8-9,13,20H,3H2,1H3,(H2,14,17)/t6-,8-,9+,13?/m1/s1
PDB
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UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 Reverse transcriptase


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50089380
PNG
(CHEMBL81002 | [5-(3-Amino-5-methyl-5H-1,4,5,6,8-pe...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)C=C3)c3ncnc1c23 |c:13|
Show InChI InChI=1S/C13H14N6O2/c1-18-12-10-8(11(14)17-18)4-19(13(10)16-6-15-12)9-3-2-7(5-20)21-9/h2-4,6-7,9,20H,5H2,1H3,(H2,14,17)/t7-,9?/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50089381
PNG
(5-(3-Amino-5-methyl-5H-1,4,5,6,8-pentaaza-acenapht...)
Show SMILES Cn1nc(N)c2cn(C3C[C@@H](O)[C@@H](CO)O3)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O3/c1-18-12-10-6(11(14)17-18)3-19(13(10)16-5-15-12)9-2-7(21)8(4-20)22-9/h3,5,7-9,20-21H,2,4H2,1H3,(H2,14,17)/t7-,8-,9?/m1/s1
PDB
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UniProtKB/TrEMBL

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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369527
PNG
(CHEMBL609194)
Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cc2c(N)nn(C)c3ncnc1c23 |r|
Show InChI InChI=1S/C13H16N6O3/c1-5-8(20)9(21)13(22-5)19-3-6-7-11(15-4-16-12(7)19)18(2)17-10(6)14/h3-5,8-9,13,20-21H,1-2H3,(H2,14,17)/t5-,8-,9-,13?/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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


(Human immunodeficiency virus 1)
BDBM50369530
PNG
(CHEMBL1790617)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)C[C@H]3O)c3ncnc1c23
Show InChI InChI=1S/C13H16N6O3/c1-18-11-9-7(10(14)17-18)3-19(12(9)16-5-15-11)13-8(21)2-6(4-20)22-13/h3,5-6,8,13,20-21H,2,4H2,1H3,(H2,14,17)/t6-,8+,13+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity was tested in cells acutely infected with HIV-1 RT (reverse transcriptase)


J Med Chem 43: 2438-48 (2000)

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