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PubMed code 9438017

Compile data set for download or QSAR
Found 12 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)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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PubMed
n/an/a 3n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
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PubMed
n/an/a 17n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061986
PNG
(CHEMBL305612 | [2-(6-Amino-purin-9-ylmethylene)-cy...)
Show SMILES Nc1ncnc2n(\C=C3\CC3CO)cnc12
Show InChI InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-
PDB
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UniChem
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PubMed
n/an/a 800n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061987
PNG
(2-Amino-9-[2-hydroxymethyl-cycloprop-(Z)-ylideneme...)
Show SMILES Nc1nc2n(\C=C3\CC3CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2-
PDB
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n/an/a 1.10E+3n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061983
PNG
(2-Amino-9-[2-hydroxymethyl-cycloprop-(E)-ylideneme...)
Show SMILES Nc1nc2n(\C=C3/CC3CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2+
PDB
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UniChem
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PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061984
PNG
(CHEMBL74478 | {(2E)-2-[(6-amino-9H-purin-9-yl)meth...)
Show SMILES Nc1ncnc2n(\C=C3/CC3CO)cnc12
Show InChI InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2+
PDB
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n/an/a 1.40E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061986
PNG
(CHEMBL305612 | [2-(6-Amino-purin-9-ylmethylene)-cy...)
Show SMILES Nc1ncnc2n(\C=C3\CC3CO)cnc12
Show InChI InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2-
PDB
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UniProtKB/TrEMBL

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UniChem
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PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061983
PNG
(2-Amino-9-[2-hydroxymethyl-cycloprop-(E)-ylideneme...)
Show SMILES Nc1nc2n(\C=C3/CC3CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2+
PDB
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UniProtKB/TrEMBL

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UniChem
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061987
PNG
(2-Amino-9-[2-hydroxymethyl-cycloprop-(Z)-ylideneme...)
Show SMILES Nc1nc2n(\C=C3\CC3CO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H11N5O2/c11-10-13-8-7(9(17)14-10)12-4-15(8)2-5-1-6(5)3-16/h2,4,6,16H,1,3H2,(H3,11,13,14,17)/b5-2-
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061982
PNG
(CHEMBL75950 | {2-[1-(2-Amino-6-chloro-purin-7-yl)-...)
Show SMILES Nc1nc(Cl)c2n(\C=C3\CC3CO)cnc2n1
Show InChI InChI=1S/C10H10ClN5O/c11-8-7-9(15-10(12)14-8)13-4-16(7)2-5-1-6(5)3-17/h2,4,6,17H,1,3H2,(H2,12,14,15)/b5-2-
PDB
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UniProtKB/TrEMBL

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



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061984
PNG
(CHEMBL74478 | {(2E)-2-[(6-amino-9H-purin-9-yl)meth...)
Show SMILES Nc1ncnc2n(\C=C3/CC3CO)cnc12
Show InChI InChI=1S/C10H11N5O/c11-9-8-10(13-4-12-9)15(5-14-8)2-6-1-7(6)3-16/h2,4-5,7,16H,1,3H2,(H2,11,12,13)/b6-2+
PDB
MMDB

UniProtKB/TrEMBL

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



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061985
PNG
(CHEMBL76121 | {2-[1-(2-Amino-6-chloro-purin-9-yl)-...)
Show SMILES Nc1nc(Cl)c2ncn(\C=C3/CC3CO)c2n1
Show InChI InChI=1S/C10H10ClN5O/c11-8-7-9(15-10(12)14-8)16(4-13-7)2-5-1-6(5)3-17/h2,4,6,17H,1,3H2,(H2,12,14,15)/b5-2+
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Wayne State University School of Medicine

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against human immunodeficiency virus type 1 (HIV-1 strain IIIB RT) reverse transcriptase was determined by t...


J Med Chem 41: 10-23 (1998)


Article DOI: 10.1021/jm9705723
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%