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PubMed code 9748354

Compile data set for download or QSAR
Found 30 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)
BDBM50066924
PNG
(6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...)
Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1
Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
PDB
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PubMed
n/an/a 16n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066930
PNG
(6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...)
Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)
PDB
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PubMed
n/an/a 50n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066931
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+
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n/an/a 50n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066931
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CCN(CC)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C12H17ClN4OS/c1-3-17(4-2)11(18)6-5-7-19-12-15-9(13)8-10(14)16-12/h5-6,8H,3-4,7H2,1-2H3,(H2,14,15,16)/b6-5+
PDB
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n/an/a 60n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066932
PNG
(6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...)
Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)
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n/an/a 62n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066934
PNG
(6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...)
Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1
Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+
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n/an/a 70n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066937
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+
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n/an/a 70n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066924
PNG
(6-Chloro-2-(6-chloro-benzo[1,3]dioxol-5-ylmethylsu...)
Show SMILES Nc1cc(Cl)nc(SCc2cc3OCOc3cc2Cl)n1
Show InChI InChI=1S/C12H9Cl2N3O2S/c13-7-2-9-8(18-5-19-9)1-6(7)4-20-12-16-10(14)3-11(15)17-12/h1-3H,4-5H2,(H2,15,16,17)
PDB
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n/an/a 85n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
inhibitory activity against HIV-1 reverse transcriptase (wild type


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066936
PNG
(2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-yl...)
Show SMILES Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1
Show InChI InChI=1S/C11H9BrClN3S/c12-8-3-1-2-7(4-8)6-17-11-15-9(13)5-10(14)16-11/h1-5H,6H2,(H2,14,15,16)
PDB
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n/an/a 140n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066927
PNG
(6-Chloro-2-(naphthalen-2-ylmethylsulfanyl)-pyrimid...)
Show SMILES Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C15H12ClN3S/c16-13-8-14(17)19-15(18-13)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,17,18,19)
PDB
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PubMed
n/an/a 150n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066925
PNG
(6-Chloro-2-(3-methoxy-benzylsulfanyl)-pyrimidin-4-...)
Show SMILES COc1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C12H12ClN3OS/c1-17-9-4-2-3-8(5-9)7-18-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)
PDB
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PubMed
n/an/a 160n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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PubMed
n/an/a 170n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066934
PNG
(6-Chloro-2-((E)-3-phenyl-allylsulfanyl)-pyrimidin-...)
Show SMILES Nc1cc(Cl)nc(SC\C=C\c2ccccc2)n1
Show InChI InChI=1S/C13H12ClN3S/c14-11-9-12(15)17-13(16-11)18-8-4-7-10-5-2-1-3-6-10/h1-7,9H,8H2,(H2,15,16,17)/b7-4+
PDB
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PubMed
n/an/a 190n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066937
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES CN(C)C(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C10H13ClN4OS/c1-15(2)9(16)4-3-5-17-10-13-7(11)6-8(12)14-10/h3-4,6H,5H2,1-2H3,(H2,12,13,14)/b4-3+
PDB
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n/an/a 200n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066928
PNG
(3-(4-Amino-6-chloro-pyrimidin-2-ylsulfanylmethyl)-...)
Show SMILES COC(=O)c1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C13H12ClN3O2S/c1-19-12(18)9-4-2-3-8(5-9)7-20-13-16-10(14)6-11(15)17-13/h2-6H,7H2,1H3,(H2,15,16,17)
PDB
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PubMed
n/an/a 230n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066935
PNG
(2-(Naphthalen-2-ylmethylsulfanyl)-6-trifluoromethy...)
Show SMILES Nc1cc(nc(SCc2ccc3ccccc3c2)n1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-14(20)22-15(21-13)23-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,20,21,22)
PDB
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PubMed
n/an/a 280n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066930
PNG
(6-Chloro-2-(3-methyl-benzylsulfanyl)-pyrimidin-4-y...)
Show SMILES Cc1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C12H12ClN3S/c1-8-3-2-4-9(5-8)7-17-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)
PDB
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PubMed
n/an/a 280n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066928
PNG
(3-(4-Amino-6-chloro-pyrimidin-2-ylsulfanylmethyl)-...)
Show SMILES COC(=O)c1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C13H12ClN3O2S/c1-19-12(18)9-4-2-3-8(5-9)7-20-13-16-10(14)6-11(15)17-13/h2-6H,7H2,1H3,(H2,15,16,17)
PDB
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PubMed
n/an/a 330n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066935
PNG
(2-(Naphthalen-2-ylmethylsulfanyl)-6-trifluoromethy...)
Show SMILES Nc1cc(nc(SCc2ccc3ccccc3c2)n1)C(F)(F)F
Show InChI InChI=1S/C16H12F3N3S/c17-16(18,19)13-8-14(20)22-15(21-13)23-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,20,21,22)
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n/an/a 430n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066927
PNG
(6-Chloro-2-(naphthalen-2-ylmethylsulfanyl)-pyrimid...)
Show SMILES Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1
Show InChI InChI=1S/C15H12ClN3S/c16-13-8-14(17)19-15(18-13)20-9-10-5-6-11-3-1-2-4-12(11)7-10/h1-8H,9H2,(H2,17,18,19)
PDB
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n/an/a 460n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066932
PNG
(6-Chloro-2-(3,4-dichloro-benzylsulfanyl)-pyrimidin...)
Show SMILES Nc1cc(Cl)nc(SCc2ccc(Cl)c(Cl)c2)n1
Show InChI InChI=1S/C11H8Cl3N3S/c12-7-2-1-6(3-8(7)13)5-18-11-16-9(14)4-10(15)17-11/h1-4H,5H2,(H2,15,16,17)
PDB
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PubMed
n/an/a 490n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066929
PNG
(6-Chloro-2-(3,4-dihydro-naphthalen-1-ylmethylsulfa...)
Show SMILES Nc1cc(Cl)nc(SCC2=CCCc3ccccc23)n1 |t:9|
Show InChI InChI=1S/C15H14ClN3S/c16-13-8-14(17)19-15(18-13)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,6-8H,3,5,9H2,(H2,17,18,19)
PDB
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PubMed
n/an/a 600n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066936
PNG
(2-(3-Bromo-benzylsulfanyl)-6-chloro-pyrimidin-4-yl...)
Show SMILES Nc1cc(Cl)nc(SCc2cccc(Br)c2)n1
Show InChI InChI=1S/C11H9BrClN3S/c12-8-3-1-2-7(4-8)6-17-11-15-9(13)5-10(14)16-11/h1-5H,6H2,(H2,14,15,16)
PDB
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UniChem

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PubMed
n/an/a 760n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066926
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES COC(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C9H10ClN3O2S/c1-15-8(14)3-2-4-16-9-12-6(10)5-7(11)13-9/h2-3,5H,4H2,1H3,(H2,11,12,13)/b3-2+
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n/an/a 930n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066925
PNG
(6-Chloro-2-(3-methoxy-benzylsulfanyl)-pyrimidin-4-...)
Show SMILES COc1cccc(CSc2nc(N)cc(Cl)n2)c1
Show InChI InChI=1S/C12H12ClN3OS/c1-17-9-4-2-3-8(5-9)7-18-12-15-10(13)6-11(14)16-12/h2-6H,7H2,1H3,(H2,14,15,16)
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n/an/a 980n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066933
PNG
(2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine | CH...)
Show SMILES Nc1cc(Cl)nc(SCc2ccccc2)n1
Show InChI InChI=1S/C11H10ClN3S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066926
PNG
((E)-4-(4-Amino-6-chloro-pyrimidin-2-ylsulfanyl)-bu...)
Show SMILES COC(=O)\C=C\CSc1nc(N)cc(Cl)n1
Show InChI InChI=1S/C9H10ClN3O2S/c1-15-8(14)3-2-4-16-9-12-6(10)5-7(11)13-9/h2-3,5H,4H2,1H3,(H2,11,12,13)/b3-2+
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n/an/a 5.25E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066933
PNG
(2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine | CH...)
Show SMILES Nc1cc(Cl)nc(SCc2ccccc2)n1
Show InChI InChI=1S/C11H10ClN3S/c12-9-6-10(13)15-11(14-9)16-7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,13,14,15)
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n/an/a 6.66E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM1944
PNG
(BHAP deriv. | CHEMBL593 | DELAVIRDINE MESYLATE | D...)
Show SMILES CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1
Show InChI InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3
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n/an/a 6.66E+3n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase (P236L)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50066929
PNG
(6-Chloro-2-(3,4-dihydro-naphthalen-1-ylmethylsulfa...)
Show SMILES Nc1cc(Cl)nc(SCC2=CCCc3ccccc23)n1 |t:9|
Show InChI InChI=1S/C15H14ClN3S/c16-13-8-14(17)19-15(18-13)20-9-11-6-3-5-10-4-1-2-7-12(10)11/h1-2,4,6-8H,3,5,9H2,(H2,17,18,19)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Pharmacia & Upjohn

Curated by ChEMBL


Assay Description
Inhibition of HIV-1 reverse transcriptase (wild type)


J Med Chem 41: 3793-803 (1998)


Article DOI: 10.1021/jm9800806
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%