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PubMed code 9548815

Compile data set for download or QSAR
Found 10 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
PDB
MMDB

UniProtKB/TrEMBL

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CHEMBL
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KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 3.10n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063941
PNG
(5,6-Dichloro-1-(4-chloro-benzyl)-1H-benzoimidazol-...)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10Cl3N3/c15-9-3-1-8(2-4-9)7-20-13-6-11(17)10(16)5-12(13)19-14(20)18/h1-6H,7H2,(H2,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063977
PNG
(5,6-Dichloro-1-(4-trifluoromethyl-benzyl)-1H-benzo...)
Show SMILES Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H10Cl2F3N3/c16-10-5-12-13(6-11(10)17)23(14(21)22-12)7-8-1-3-9(4-2-8)15(18,19)20/h1-6H,7H2,(H2,21,22)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.00E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063948
PNG
(2-Bromo-5,6-dichloro-1-(3-nitro-benzyl)-1H-benzoim...)
Show SMILES [O-][N+](=O)c1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1
Show InChI InChI=1S/C14H8BrCl2N3O2/c15-14-18-12-5-10(16)11(17)6-13(12)19(14)7-8-2-1-3-9(4-8)20(21)22/h1-6H,7H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase (RT) assay in CEM-SS cells.


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063945
PNG
(2-Bromo-5,6-dichloro-1-(3-methyl-benzyl)-1H-benzoi...)
Show SMILES Cc1cccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)c1
Show InChI InChI=1S/C15H11BrCl2N2/c1-9-3-2-4-10(5-9)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.60E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063937
PNG
(2-Bromo-5,6-dichloro-1-(4-methoxy-benzyl)-1H-benzo...)
Show SMILES COc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C15H11BrCl2N2O/c1-21-10-4-2-9(3-5-10)8-20-14-7-12(18)11(17)6-13(14)19-15(20)16/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063972
PNG
(2,5,6-Trichloro-1-(4-methyl-benzyl)-1H-benzoimidaz...)
Show SMILES Cc1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C15H11Cl3N2/c1-9-2-4-10(5-3-9)8-20-14-7-12(17)11(16)6-13(14)19-15(20)18/h2-7H,8H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

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



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063968
PNG
(1-(3,5-Bis-trifluoromethyl-benzyl)-2-bromo-5,6-dic...)
Show SMILES FC(F)(F)c1cc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc(c1)C(F)(F)F
Show InChI InChI=1S/C16H7BrCl2F6N2/c17-14-26-12-4-10(18)11(19)5-13(12)27(14)6-7-1-8(15(20,21)22)3-9(2-7)16(23,24)25/h1-5H,6H2
PDB
MMDB

UniProtKB/TrEMBL

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



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063970
PNG
(2-Bromo-5,6-dichloro-1-(3,4-dichloro-benzyl)-1H-be...)
Show SMILES Clc1ccc(Cn2c(Br)nc3cc(Cl)c(Cl)cc23)cc1Cl
Show InChI InChI=1S/C14H7BrCl4N2/c15-14-20-12-4-10(18)11(19)5-13(12)21(14)6-7-1-2-8(16)9(17)3-7/h1-5H,6H2
PDB
MMDB

UniProtKB/TrEMBL

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



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50063958
PNG
(2,5,6-Trichloro-1-(4-nitro-benzyl)-1H-benzoimidazo...)
Show SMILES [O-][N+](=O)c1ccc(Cn2c(Cl)nc3cc(Cl)c(Cl)cc23)cc1
Show InChI InChI=1S/C14H8Cl3N3O2/c15-10-5-12-13(6-11(10)16)19(14(17)18-12)7-8-1-3-9(4-2-8)20(21)22/h1-6H,7H2
PDB
MMDB

UniProtKB/TrEMBL

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



University of Michigan

Curated by ChEMBL


Assay Description
Antiviral activity against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%