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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'townsend' and Initial = 'lb'   
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
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50005799
PNG
(2,8-Diamino-9-benzyl-1,9-dihydro-purin-6-one | CHE...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1Cc1ccccc1
Show InChI InChI=1S/C12H12N6O/c13-11-16-9-8(10(19)17-11)15-12(14)18(9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15)(H3,13,16,17,19)
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200n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368825
PNG
(CHEMBL603291)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](CSc2ccccc2)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18N6O4S/c17-15-20-12-9(13(25)21-15)19-16(18)22(12)14-11(24)10(23)8(26-14)6-27-7-4-2-1-3-5-7/h1-5,8,10-11,14,23-24H,6H2,(H2,18,19)(H3,17,20,21,25)/t8-,10-,11-,14?/m1/s1
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450n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50022243
PNG
(2,8-Diamino-1,9-dihydro-purin-6-one | 8-AMINOGUANI...)
Show SMILES Nc1nc2nc(N)[nH]c(=O)c2[nH]1
Show InChI InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)
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800n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368823
PNG
(CHEMBL606329)
Show SMILES O[C@@H]1[C@@H](I)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C9H9IN4O4/c10-8-6(16)5(15)7(18-8)3-2-4(14-13-3)9(17)12-1-11-2/h1,5-8,15-16H,(H,13,14)(H,11,12,17)/t5-,6+,7?,8+/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50404028
PNG
(CHEMBL2021376)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C10H14N6O5/c11-9-14-6-3(7(20)15-9)13-10(12)16(6)8-5(19)4(18)2(1-17)21-8/h2,4-5,8,17-19H,1H2,(H2,12,13)(H3,11,14,15,20)/t2-,4-,5-,8-/m1/s1
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7.00E+3n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50046864
PNG
(6-(2,8-Diamino-6-oxo-1,6-dihydro-purin-9-yl)-hexan...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1CCCCCC(O)=O
Show InChI InChI=1S/C11H16N6O3/c12-10-15-8-7(9(20)16-10)14-11(13)17(8)5-3-1-2-4-6(18)19/h1-5H2,(H2,13,14)(H,18,19)(H3,12,15,16,20)
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1.00E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50046869
PNG
(2,8-Diamino-9-hexyl-1,9-dihydro-purin-6-one | CHEM...)
Show SMILES CCCCCCn1c(N)nc2c1nc(N)[nH]c2=O
Show InChI InChI=1S/C11H18N6O/c1-2-3-4-5-6-17-8-7(14-11(17)13)9(18)16-10(12)15-8/h2-6H2,1H3,(H2,13,14)(H3,12,15,16,18)
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1.24E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibitory activity against PNP activity in dialyzed extracts from human erythrocytes


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50207253
PNG
(2,8-Diamino-9-(2-hydroxy-ethoxymethyl)-1,9-dihydro...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1COCCO
Show InChI InChI=1S/C8H12N6O3/c9-7-12-5-4(6(16)13-7)11-8(10)14(5)3-17-2-1-15/h15H,1-3H2,(H2,10,11)(H3,9,12,13,16)
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1.34E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50046867
PNG
(2-Amino-9-(2-iodo-ethoxymethyl)-1,9-dihydro-purin-...)
Show SMILES Nc1nc2n(COCCI)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H10IN5O2/c9-1-2-16-4-14-3-11-5-6(14)12-8(10)13-7(5)15/h3H,1-2,4H2,(H3,10,12,13,15)
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1.50E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50207401
PNG
(2-Amino-8-bromo-9-(2-hydroxy-ethoxymethyl)-1,9-dih...)
Show SMILES Nc1nc2n(COCCO)c(Br)nc2c(=O)[nH]1
Show InChI InChI=1S/C8H10BrN5O3/c9-7-11-4-5(12-8(10)13-6(4)16)14(7)3-17-2-1-15/h15H,1-3H2,(H3,10,12,13,16)
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1.87E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50046868
PNG
(2,8-Diamino-9-(2-iodo-ethoxymethyl)-1,9-dihydro-pu...)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1COCCI
Show InChI InChI=1S/C8H11IN6O2/c9-1-2-17-3-15-5-4(12-8(15)11)6(16)14-7(10)13-5/h1-3H2,(H2,11,12)(H3,10,13,14,16)
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2.30E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368828
PNG
(CHEMBL603290)
Show SMILES O[C@@H]1[C@@H](CSc2ccccc2)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C16H16N4O4S/c21-13-9(6-25-8-4-2-1-3-5-8)24-15(14(13)22)11-10-12(20-19-11)16(23)18-7-17-10/h1-5,7,9,13-15,21-22H,6H2,(H,19,20)(H,17,18,23)/t9-,13-,14-,15?/m1/s1
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2.60E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368824
PNG
(CHEMBL606113)
Show SMILES Nc1nc2c(nc(N)[nH]c2=O)n1C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H17FN6O8S/c18-33(29,30)7-3-1-6(2-4-7)15(28)31-5-8-10(25)11(26)14(32-8)24-12-9(21-17(24)20)13(27)23-16(19)22-12/h1-4,8,10-11,14,25-26H,5H2,(H2,20,21)(H3,19,22,23,27)/t8-,10-,11-,14?/m1/s1
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3.70E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368827
PNG
(CHEMBL606330)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)C1O[C@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H16FN5O8S/c18-32(28,29)8-3-1-7(2-4-8)16(27)30-5-9-11(24)12(25)15(31-9)23-6-20-10-13(23)21-17(19)22-14(10)26/h1-4,6,9,11-12,15,24-25H,5H2,(H3,19,21,22,26)/t9-,11-,12-,15?/m1/s1
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9.30E+4n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50367285
PNG
(CHEMBL603183)
Show SMILES OC[C@H]1OC([C@H](O)[C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C10H12N4O5/c15-1-3-7(16)8(17)9(19-3)5-4-6(14-13-5)10(18)12-2-11-4/h2-3,7-9,15-17H,1H2,(H,13,14)(H,11,12,18)/t3-,7-,8-,9?/m1/s1
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1.00E+5n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50039559
PNG
(CHEMBL267803 | [5-(2-Amino-6-oxo-1,6-dihydro-purin...)
Show SMILES Nc1nc2n(CCCCCP(O)(O)=O)cnc2c(=O)[nH]1
Show InChI InChI=1S/C10H16N5O4P/c11-10-13-8-7(9(16)14-10)12-6-15(8)4-2-1-3-5-20(17,18)19/h6H,1-5H2,(H2,17,18,19)(H3,11,13,14,16)
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1.70E+5n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50021776
PNG
(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Show SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1
Show InChI InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15)
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1.80E+5n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Purine nucleoside phosphorylase


(Homo sapiens (Human))
BDBM50368826
PNG
(CHEMBL603298)
Show SMILES O[C@@H]1[C@@H](COC(=O)c2ccc(cc2)S(F)(=O)=O)OC([C@@H]1O)c1[nH]nc2c1nc[nH]c2=O |r|
Show InChI InChI=1S/C17H15FN4O8S/c18-31(27,28)8-3-1-7(2-4-8)17(26)29-5-9-13(23)14(24)15(30-9)11-10-12(22-21-11)16(25)20-6-19-10/h1-4,6,9,13-15,23-24H,5H2,(H,21,22)(H,19,20,25)/t9-,13-,14-,15?/m1/s1
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>3.00E+5n/an/an/an/an/an/an/an/a



National Defense Medical Center

Curated by ChEMBL


Assay Description
PNP activity in human RBC


J Med Chem 36: 1024-31 (1993)


BindingDB Entry DOI: 10.7270/Q2CV4JCQ
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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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
BindingDB Entry DOI: 10.7270/Q2P26X8J
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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n/an/a 11n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50031364
PNG
(4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...)
Show SMILES NC(=O)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12
Show InChI InChI=1S/C12H14FN5O4/c13-7-8(20)5(2-19)22-12(7)18-1-4(10(15)21)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,21)(H2,14,16,17)
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n/an/a 20n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369541
PNG
(CHEMBL608901)
Show SMILES CCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C20H28N6O5/c1-3-4-5-6-7-13(28)23-17-11-8-26(20-16(30)15(29)12(9-27)31-20)19-14(11)18(21-10-22-19)25(2)24-17/h8,10,12,15-16,20,27,29-30H,3-7,9H2,1-2H3,(H,23,24,28)/t12-,15-,16-,20?/m1/s1
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n/an/a 35n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
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
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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)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50089379
PNG
((2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,8-pen...)
Show SMILES Cn1nc(N)c2cn(C3O[C@H](CO)[C@H](O)[C@@H]3O)c3ncnc1c23
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
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n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase


J Med Chem 48: 3840-51 (2005)


Article DOI: 10.1021/jm0402014
BindingDB Entry DOI: 10.7270/Q2D50MH7
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
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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)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
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
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n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
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
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n/an/a 40n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50031365
PNG
(4-Amino-7-(3-fluoro-4-hydroxy-5-hydroxymethyl-tetr...)
Show SMILES NC(=S)c1cn(C2OC(CO)C(O)C2F)c2ncnc(N)c12
Show InChI InChI=1S/C12H14FN5O3S/c13-7-8(20)5(2-19)21-12(7)18-1-4(10(15)22)6-9(14)16-3-17-11(6)18/h1,3,5,7-8,12,19-20H,2H2,(H2,15,22)(H2,14,16,17)
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n/an/a 70n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369542
PNG
(CHEMBL611850)
Show SMILES CCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H30N6O5/c1-3-4-5-6-7-8-14(29)24-18-12-9-27(21-17(31)16(30)13(10-28)32-21)20-15(12)19(22-11-23-20)26(2)25-18/h9,11,13,16-17,21,28,30-31H,3-8,10H2,1-2H3,(H,24,25,29)/t13-,16-,17-,21?/m1/s1
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n/an/a 100n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369534
PNG
(CHEMBL607723)
Show SMILES CCCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C23H34N6O5/c1-3-4-5-6-7-8-9-10-16(31)26-20-14-11-29(23-19(33)18(32)15(12-30)34-23)22-17(14)21(24-13-25-22)28(2)27-20/h11,13,15,18-19,23,30,32-33H,3-10,12H2,1-2H3,(H,26,27,31)/t15-,18-,19-,23?/m1/s1
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n/an/a 250n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
GMP synthase


(Mus musculus)
BDBM50042853
PNG
(CHEMBL127366 | N-(4-Isothiocyanatomethyl-thiazol-2...)
Show SMILES O=C(Nc1nc(CN=C=S)cs1)c1ccccc1
Show InChI InChI=1S/C12H9N3OS2/c16-11(9-4-2-1-3-5-9)15-12-14-10(7-18-12)6-13-8-17/h1-5,7H,6H2,(H,14,15,16)
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n/an/a 350n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against partially purified GMP synthetase in L1210 cells


J Med Chem 36: 3849-52 (1994)


BindingDB Entry DOI: 10.7270/Q2W9588K
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369533
PNG
(CHEMBL611245)
Show SMILES CCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H26N6O5/c1-3-4-5-6-12(27)22-16-10-7-25(19-15(29)14(28)11(8-26)30-19)18-13(10)17(20-9-21-18)24(2)23-16/h7,9,11,14-15,19,26,28-29H,3-6,8H2,1-2H3,(H,22,23,27)/t11-,14-,15-,19?/m1/s1
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n/an/a 350n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369536
PNG
(CHEMBL611242)
Show SMILES CCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H22N6O5/c1-3-4-10(25)20-14-8-5-23(17-13(27)12(26)9(6-24)28-17)16-11(8)15(18-7-19-16)22(2)21-14/h5,7,9,12-13,17,24,26-27H,3-4,6H2,1-2H3,(H,20,21,25)/t9-,12-,13-,17?/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369535
PNG
(CHEMBL607724)
Show SMILES CCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H32N6O5/c1-3-4-5-6-7-8-9-15(30)25-19-13-10-28(22-18(32)17(31)14(11-29)33-22)21-16(13)20(23-12-24-21)27(2)26-19/h10,12,14,17-18,22,29,31-32H,3-9,11H2,1-2H3,(H,25,26,30)/t14-,17-,18-,22?/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369540
PNG
(CHEMBL608301)
Show SMILES CCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N6O5/c1-3-4-5-11(26)21-15-9-6-24(18-14(28)13(27)10(7-25)29-18)17-12(9)16(19-8-20-17)23(2)22-15/h6,8,10,13-14,18,25,27-28H,3-5,7H2,1-2H3,(H,21,22,26)/t10-,13-,14-,18?/m1/s1
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n/an/a 800n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369537
PNG
(CHEMBL611243)
Show SMILES CCCCCCCCCCCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C25H38N6O5/c1-3-4-5-6-7-8-9-10-11-12-18(33)28-22-16-13-31(25-21(35)20(34)17(14-32)36-25)24-19(16)23(26-15-27-24)30(2)29-22/h13,15,17,20-21,25,32,34-35H,3-12,14H2,1-2H3,(H,28,29,33)/t17-,20-,21-,25?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50168027
PNG
((2R,3R,4S,5R)-2-(3-Amino-5-methyl-5H-1,4,5,6,7,8-h...)
Show SMILES Cn1nc(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nnnc1c23
Show InChI InChI=1S/C12H15N7O4/c1-18-10-6-4(9(13)16-18)2-19(11(6)15-17-14-10)12-8(22)7(21)5(3-20)23-12/h2,5,7-8,12,20-22H,3H2,1H3,(H2,13,16)/t5-,7-,8-,12-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against human immunodeficiency virus type 1 reverse transcriptase


J Med Chem 48: 3840-51 (2005)


Article DOI: 10.1021/jm0402014
BindingDB Entry DOI: 10.7270/Q2D50MH7
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369539
PNG
(CHEMBL610949)
Show SMILES CC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H18N6O5/c1-6(23)18-12-7-3-21(15-11(25)10(24)8(4-22)26-15)14-9(7)13(16-5-17-14)20(2)19-12/h3,5,8,10-11,15,22,24-25H,4H2,1-2H3,(H,18,19,23)/t8-,10-,11-,15?/m1/s1
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369532
PNG
(CHEMBL610657)
Show SMILES CC(C)C(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H22N6O5/c1-7(2)16(27)20-13-8-4-23(17-12(26)11(25)9(5-24)28-17)15-10(8)14(18-6-19-15)22(3)21-13/h4,6-7,9,11-12,17,24-26H,5H2,1-3H3,(H,20,21,27)/t9-,11-,12-,17?/m1/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50369538
PNG
(CHEMBL609191)
Show SMILES CCC(=O)Nc1nn(C)c2ncnc3n(cc1c23)C1O[C@H](CO)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H20N6O5/c1-3-9(24)19-13-7-4-22(16-12(26)11(25)8(5-23)27-16)15-10(7)14(17-6-18-15)21(2)20-13/h4,6,8,11-12,16,23,25-26H,3,5H2,1-2H3,(H,19,20,24)/t8-,11-,12-,16?/m1/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


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


J Med Chem 43: 2457-63 (2000)


BindingDB Entry DOI: 10.7270/Q22N52Z2
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)
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UniChem
Article
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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
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50407560
PNG
(CHEMBL473686)
Show SMILES Nc1ncnc2n(cc(C#N)c12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F |r|
Show InChI InChI=1S/C12H12FN5O3/c13-8-9(20)6(3-19)21-12(8)18-2-5(1-14)7-10(15)16-4-17-11(7)18/h2,4,6,8-9,12,19-20H,3H2,(H2,15,16,17)/t6-,8+,9-,12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50407562
PNG
(CHEMBL2112687)
Show SMILES Nc1ncnc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|
Show InChI InChI=1S/C12H11BrFN5O3/c13-9-4(1-15)6-10(16)17-3-18-11(6)19(9)12-7(14)8(21)5(2-20)22-12/h3,5,7-8,12,20-21H,2H2,(H2,16,17,18)/t5-,7+,8-,12-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
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)
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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
BindingDB Entry DOI: 10.7270/Q2P26X8J
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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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)


BindingDB Entry DOI: 10.7270/Q26D5TNZ
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50407563
PNG
(CHEMBL2111874)
Show SMILES Nc1ncnc2n([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3F)c(Br)c(C#N)c12 |r|
Show InChI InChI=1S/C12H11BrFN5O3/c13-9-4(1-15)6-10(16)17-3-18-11(6)19(9)12-7(14)8(21)5(2-20)22-12/h3,5,7-8,12,20-21H,2H2,(H2,16,17,18)/t5-,7+,8-,12+/m1/s1
PDB
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
antiviral activity in Human immunodeficiency virus-1 as reverse transcriptase activity in culture supernatant


J Med Chem 38: 4106-14 (1995)


BindingDB Entry DOI: 10.7270/Q25B01HR
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
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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
BindingDB Entry DOI: 10.7270/Q2P26X8J
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
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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
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
Oligopeptide transporter small intestine isoform


(Homo sapiens (Human))
BDBM50370614
PNG
(CHEMBL608788)
Show SMILES CCOc1ccc(C[C@H](N)C(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2c(Br)nc3cc(Cl)c(Cl)cc23)cc1 |r|
Show InChI InChI=1S/C23H24BrCl2N3O6/c1-2-33-12-5-3-11(4-6-12)7-15(27)22(32)34-10-18-19(30)20(31)21(35-18)29-17-9-14(26)13(25)8-16(17)28-23(29)24/h3-6,8-9,15,18-21,30-31H,2,7,10,27H2,1H3/t15-,18+,19+,20+,21?/m0/s1
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n/an/a 9.60E+4n/an/an/an/an/an/a



University of Michigan

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1


J Med Chem 48: 1274-7 (2005)


Article DOI: 10.1021/jm049450i
BindingDB Entry DOI: 10.7270/Q2348M46
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
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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 against Human Immunodeficiency Virus by Reverse transcriptase assay in CEM-SS cells


J Med Chem 41: 1252-62 (1998)


Article DOI: 10.1021/jm970559i
BindingDB Entry DOI: 10.7270/Q2P26X8J
More data for this
Ligand-Target Pair
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