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Compile Data Set for Download or QSAR

Found 137 hits with Last Name = 'monneret' and Initial = 'c'   
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
Aminopeptidase N


(Sus scrofa (Pig))
BDBM50132083
PNG
(CHEMBL125622 | [3-Nitro-2-(2-nitro-phenyl)-4-oxo-4...)
Show SMILES OC(=O)Cc1cccc2c1oc(-c1ccccc1[N+]([O-])=O)c([N+]([O-])=O)c2=O
Show InChI InChI=1S/C17H10N2O8/c20-13(21)8-9-4-3-6-11-15(22)14(19(25)26)17(27-16(9)11)10-5-1-2-7-12(10)18(23)24/h1-7H,8H2,(H,20,21)
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n/an/a 2.50E+4n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound towards cell surface aminopeptidase N (APN/CD13)


J Med Chem 46: 3900-13 (2003)


Article DOI: 10.1021/jm021109f
BindingDB Entry DOI: 10.7270/Q2ZP45JZ
More data for this
Ligand-Target Pair
Calnexin


(Homo sapiens (Human))
BDBM50421603
PNG
(CHEMBL2303776)
Show SMILES OC[C@@H]1C[C@H](OC(=O)NCCOCCOC(=O)NC(O)NC(=O)OC(CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CNC(=O)OCCNC(=O)O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O |r|
Show InChI InChI=1S/C44H75N7O35/c52-12-16-9-18(26(60)33(22(16)56)84-34-30(64)27(61)23(57)19(13-53)80-34)83-40(70)45-1-4-75-7-8-78-43(73)50-37(67)51-44(74)79-17(10-48-38(68)76-5-2-46-41(71)85-35-31(65)28(62)24(58)20(14-54)81-35)11-49-39(69)77-6-3-47-42(72)86-36-32(66)29(63)25(59)21(15-55)82-36/h16-37,52-67H,1-15H2,(H,45,70)(H,46,71)(H,47,72)(H,48,68)(H,49,69)(H,50,73)(H,51,74)/t16-,18-,19-,20-,21-,22+,23+,24+,25+,26-,27-,28-,29-,30-,31+,32+,33-,34+,35+,36+,37?/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



UMR 176 CNRS-Institut Curie

Curated by ChEMBL


Assay Description
Compound was tested for its ability to inhibit binding of [3H]- Glc1Man9 GlcNAc2 to GST-fused calnexin immobilized on glutathione-agarose


Bioorg Med Chem Lett 12: 1237-40 (2002)


BindingDB Entry DOI: 10.7270/Q26D5SBH
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057812
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2COC(C)(C)O2)c1=O
Show InChI InChI=1S/C16H23N5O6/c1-9-5-20(13-4-11(18-19-17)12(7-22)26-13)15(24)21(14(9)23)6-10-8-25-16(2,3)27-10/h5,10-13,22H,4,6-8H2,1-3H3
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n/an/an/an/a 1.30E+4n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057803
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC2CC(CO)=NO2)c1=O |c:23|
Show InChI InChI=1S/C15H20N6O6/c1-8-4-20(13-3-11(17-19-16)12(7-23)26-13)15(25)21(14(8)24)5-10-2-9(6-22)18-27-10/h4,10-13,22-23H,2-3,5-7H2,1H3
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n/an/an/an/a 1.30E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057809
PNG
(3-Amino-1-(4-azido-5-hydroxymethyl-tetrahydro-fura...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(N)c1=O
Show InChI InChI=1S/C10H14N6O4/c1-5-3-15(10(19)16(12)9(5)18)8-2-6(13-14-11)7(4-17)20-8/h3,6-8,17H,2,4,12H2,1H3
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n/an/an/an/a 500n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057819
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES CCOC(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC
Show InChI InChI=1S/C16H25N5O6/c1-4-25-14(26-5-2)8-21-15(23)10(3)7-20(16(21)24)13-6-11(18-19-17)12(9-22)27-13/h7,11-14,22H,4-6,8-9H2,1-3H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057821
PNG
(CHEMBL39945 | [3-(4-Azido-5-hydroxymethyl-tetrahyd...)
Show SMILES CCOP(=O)(Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O)OCC
Show InChI InChI=1S/C15H24N5O7P/c1-4-25-28(24,26-5-2)9-20-14(22)10(3)7-19(15(20)23)13-6-11(17-18-16)12(8-21)27-13/h7,11-13,21H,4-6,8-9H2,1-3H3
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n/an/an/an/a 4.70E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
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
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n/an/an/an/a 3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057804
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES COc1nc(=O)n(CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)cc1C
Show InChI InChI=1S/C18H23N7O6/c1-10-7-23(17(28)20-15(10)30-3)4-5-24-16(27)11(2)8-25(18(24)29)14-6-12(21-22-19)13(9-26)31-14/h7-8,12-14,26H,4-6,9H2,1-3H3
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n/an/an/an/a>2.90E+4n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057814
PNG
(2-{2-[3-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCN2C(=O)c3ccccc3C2=O)c1=O
Show InChI InChI=1S/C20H20N6O6/c1-11-9-26(16-8-14(22-23-21)15(10-27)32-16)20(31)25(17(11)28)7-6-24-18(29)12-4-2-3-5-13(12)19(24)30/h2-5,9,14-16,27H,6-8,10H2,1H3
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n/an/an/an/a 1.14E+5n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057818
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCO)c1=O
Show InChI InChI=1S/C13H19N5O5/c1-8-6-18(13(22)17(12(8)21)3-2-4-19)11-5-9(15-16-14)10(7-20)23-11/h6,9-11,19-20H,2-5,7H2,1H3
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n/an/an/an/a 120n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057808
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(Cc2ccoc2)c1=O
Show InChI InChI=1S/C15H17N5O5/c1-9-5-19(13-4-11(17-18-16)12(7-21)25-13)15(23)20(14(9)22)6-10-2-3-24-8-10/h2-3,5,8,11-13,21H,4,6-7H2,1H3
PDB
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n/an/an/an/a 1.43E+5n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057805
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(C(CO)O2)n2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H25N7O8/c1-9-5-25(19(32)22-17(9)30)16-4-12(14(8-29)35-16)27-18(31)10(2)6-26(20(27)33)15-3-11(23-24-21)13(7-28)34-15/h5-6,11-16,28-29H,3-4,7-8H2,1-2H3,(H,22,30,32)
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n/an/an/an/a 100n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057810
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCO)c1=O
Show InChI InChI=1S/C12H17N5O5/c1-7-5-17(12(21)16(2-3-18)11(7)20)10-4-8(14-15-13)9(6-19)22-10/h5,8-10,18-19H,2-4,6H2,1H3
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n/an/an/an/a 90n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057822
PNG
(1-(4-azido-5-hydroxymethyltetrahydro-2-furanyl)-3-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCn2c(=O)c(C)cn(C3CC(N=[N+]=[N-])C(CO)O3)c2=O)c1=O
Show InChI InChI=1S/C22H28N10O8/c1-11-7-31(17-5-13(25-27-23)15(9-33)39-17)21(37)29(19(11)35)3-4-30-20(36)12(2)8-32(22(30)38)18-6-14(26-28-24)16(10-34)40-18/h7-8,13-18,33-34H,3-6,9-10H2,1-2H3
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n/an/an/an/a 1.40E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057807
PNG
(CHEMBL38606 | [3-(4-Azido-5-hydroxymethyl-tetrahyd...)
Show SMILES CCOC(=O)Cn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O
Show InChI InChI=1S/C14H19N5O6/c1-3-24-12(21)6-19-13(22)8(2)5-18(14(19)23)11-4-9(16-17-15)10(7-20)25-11/h5,9-11,20H,3-4,6-7H2,1-2H3
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n/an/an/an/a 1.40E+4n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057811
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCCCCCO)c1=O
Show InChI InChI=1S/C16H25N5O5/c1-11-9-21(14-8-12(18-19-17)13(10-23)26-14)16(25)20(15(11)24)6-4-2-3-5-7-22/h9,12-14,22-23H,2-8,10H2,1H3
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n/an/an/an/a 1.20E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057823
PNG
(3-Allyl-1-(4-azido-5-hydroxymethyl-tetrahydro-fura...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CC=C)c1=O
Show InChI InChI=1S/C13H17N5O4/c1-3-4-17-12(20)8(2)6-18(13(17)21)11-5-9(15-16-14)10(7-19)22-11/h3,6,9-11,19H,1,4-5,7H2,2H3
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n/an/an/an/a 6.50E+4n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057815
PNG
(1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-...)
Show SMILES COCCOCn1c(=O)c(C)cn(C2CC(N=[N+]=[N-])C(CO)O2)c1=O
Show InChI InChI=1S/C14H21N5O6/c1-9-6-18(12-5-10(16-17-15)11(7-20)25-12)14(22)19(13(9)21)8-24-4-3-23-2/h6,10-12,20H,3-5,7-8H2,1-2H3
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n/an/an/an/a 1.40E+5n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50057816
PNG
(3-(2-Azido-ethyl)-1-(4-azido-5-hydroxymethyl-tetra...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(CO)O2)c(=O)n(CCN=[N+]=[N-])c1=O
Show InChI InChI=1S/C12H16N8O4/c1-7-5-20(10-4-8(16-18-14)9(6-21)24-10)12(23)19(11(7)22)3-2-15-17-13/h5,8-10,21H,2-4,6H2,1H3
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n/an/an/an/a 1.50E+3n/an/an/an/a



Institut de Chimie des Substances Naturelles CNRS

Curated by ChEMBL


Assay Description
Reverse transcriptase activity was measured in the culture supernatant, concentration that reduces by 50% the HIV produced in the supernatant.


J Med Chem 40: 1550-8 (1997)


Article DOI: 10.1021/jm9600095
BindingDB Entry DOI: 10.7270/Q2TH8KSM
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008297
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(3-hydroxy-phenylsulf...)
Show SMILES Cc1c(Sc2cccc(O)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O5S/c1-9-12(19)15-14(20)16(8-21-6-5-17)13(9)22-11-4-2-3-10(18)7-11/h2-4,7,17-18H,5-6,8H2,1H3,(H,15,19,20)
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n/an/an/an/a 8.20E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004118
PNG
(1-Ethoxymethyl-5-isopropyl-6-phenylsulfanyl-2-thio...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=S
Show InChI InChI=1S/C16H20N2O2S2/c1-4-20-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)21/h5-9,11H,4,10H2,1-3H3,(H,17,19,21)
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n/an/an/an/a 14n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004139
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-2-t...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-15(2)18-19(24)22-21(26)23(14-25-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,26)
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n/an/an/an/a 6.80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032237
PNG
(6-Benzyl-1-(2-hydroxy-ethoxymethyl)-5-isopropyl-1H...)
Show SMILES CC(C)c1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O4/c1-12(2)15-14(10-13-6-4-3-5-7-13)19(11-23-9-8-20)17(22)18-16(15)21/h3-7,12,20H,8-11H2,1-2H3,(H,18,21,22)
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n/an/an/an/a 63n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004126
PNG
(5-Cyclopropyl-1-ethoxymethyl-6-phenylsulfanyl-1H-p...)
Show SMILES CCOCn1c(Sc2ccccc2)c(C2CC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H18N2O3S/c1-2-21-10-18-15(22-12-6-4-3-5-7-12)13(11-8-9-11)14(19)17-16(18)20/h3-7,11H,2,8-10H2,1H3,(H,17,19,20)
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n/an/an/an/a 100n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032235
PNG
(6-(3,5-Dimethyl-benzyl)-1-ethoxymethyl-5-ethyl-1H-...)
Show SMILES CCOCn1c(Cc2cc(C)cc(C)c2)c(CC)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O3/c1-5-15-16(10-14-8-12(3)7-13(4)9-14)20(11-23-6-2)18(22)19-17(15)21/h7-9H,5-6,10-11H2,1-4H3,(H,19,21,22)
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n/an/an/an/a 1.60n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004138
PNG
(1-Benzyloxymethyl-6-(3,5-dimethyl-phenylsulfanyl)-...)
Show SMILES CCc1c(Sc2cc(C)cc(C)c2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N2O3S/c1-4-19-20(25)23-22(26)24(14-27-13-17-8-6-5-7-9-17)21(19)28-18-11-15(2)10-16(3)12-18/h5-12H,4,13-14H2,1-3H3,(H,23,25,26)
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n/an/an/an/a 3.20n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008328
PNG
(6-(3-Fluoro-phenylsulfanyl)-1-(2-hydroxy-ethoxymet...)
Show SMILES Cc1c(Sc2cccc(F)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15FN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 3.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004149
PNG
(5-Ethyl-1-phenethyloxymethyl-6-phenylsulfanyl-2-th...)
Show SMILES CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C21H22N2O2S2/c1-2-18-19(24)22-21(26)23(20(18)27-17-11-7-4-8-12-17)15-25-14-13-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,22,24,26)
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n/an/an/an/a 91n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50011000
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-iodo-6-phenylsulfanyl...)
Show SMILES OCCOCn1c(Sc2ccccc2)c(I)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H13IN2O4S/c14-10-11(18)15-13(19)16(8-20-7-6-17)12(10)21-9-4-2-1-3-5-9/h1-5,17H,6-8H2,(H,15,18,19)
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n/an/an/an/a 4.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004131
PNG
(1-Cyclohexylmethoxymethyl-5-ethyl-6-phenylsulfanyl...)
Show SMILES CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O3S/c1-2-17-18(23)21-20(24)22(14-25-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23,24)
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n/an/an/an/a 450n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008329
PNG
(6-(3,5-Dimethyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES CC(C)c1c(Sc2cc(C)cc(C)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C18H24N2O4S/c1-11(2)15-16(22)19-18(23)20(10-24-6-5-21)17(15)25-14-8-12(3)7-13(4)9-14/h7-9,11,21H,5-6,10H2,1-4H3,(H,19,22,23)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008318
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H14Cl2N2O4S/c1-8-12(20)17-14(21)18(7-22-3-2-19)13(8)23-11-5-9(15)4-10(16)6-11/h4-6,19H,2-3,7H2,1H3,(H,17,20,21)
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n/an/an/an/a 1.30E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008333
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-isopropyl-6-phenylsul...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O4S/c1-11(2)13-14(20)17-16(21)18(10-22-9-8-19)15(13)23-12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,17,20,21)
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n/an/an/an/a 63n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061691
PNG
(6-(4-Cyclohexyl-phenylsulfanyl)-1-(2-hydroxy-ethox...)
Show SMILES Cc1c(Sc2ccc(cc2)C2CCCCC2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C20H26N2O4S/c1-14-18(24)21-20(25)22(13-26-12-11-23)19(14)27-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,15,23H,2-6,11-13H2,1H3,(H,21,24,25)
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n/an/an/an/a 3.50E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061701
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-isopropyl-6-phenylsul...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C16H20N2O3S2/c1-11(2)13-14(20)17-16(22)18(10-21-9-8-19)15(13)23-12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,17,20,22)
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n/an/an/an/a 59n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50032242
PNG
(6-Benzyl-5-ethyl-1-(2-hydroxy-ethoxymethyl)-1H-pyr...)
Show SMILES CCc1c(Cc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C16H20N2O4/c1-2-13-14(10-12-6-4-3-5-7-12)18(11-22-9-8-19)16(21)17-15(13)20/h3-7,19H,2,8-11H2,1H3,(H,17,20,21)
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n/an/an/an/a 350n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008325
PNG
(1-(2-Hydroxy-ethoxymethyl)-6-(3-iodo-phenylsulfany...)
Show SMILES Cc1c(Sc2cccc(I)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15IN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 1.00E+4n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004143
PNG
(5-Ethyl-1-isobutyl-6-phenylsulfanyl-2-thioxo-2,3-d...)
Show SMILES CCc1c(Sc2ccccc2)n(CC(C)C)c(=S)[nH]c1=O
Show InChI InChI=1S/C16H20N2OS2/c1-4-13-14(19)17-16(20)18(10-11(2)3)15(13)21-12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
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n/an/an/an/a 220n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004125
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-1-ethoxymethyl-5-e...)
Show SMILES CCOCn1c(Sc2cc(Cl)cc(Cl)c2)c(CC)c(=O)[nH]c1=S
Show InChI InChI=1S/C15H16Cl2N2O2S2/c1-3-12-13(20)18-15(22)19(8-21-4-2)14(12)23-11-6-9(16)5-10(17)7-11/h5-7H,3-4,8H2,1-2H3,(H,18,20,22)
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n/an/an/an/a 13n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008341
PNG
(6-(3-Bromo-phenylsulfanyl)-1-(2-hydroxy-ethoxymeth...)
Show SMILES Cc1c(Sc2cccc(Br)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15BrN2O4S/c1-9-12(19)16-14(20)17(8-21-6-5-18)13(9)22-11-4-2-3-10(15)7-11/h2-4,7,18H,5-6,8H2,1H3,(H,16,19,20)
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n/an/an/an/a 5.70E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004121
PNG
(1-Benzyloxymethyl-5-ethyl-6-phenylsulfanyl-2-thiox...)
Show SMILES CCc1c(Sc2ccccc2)n(COCc2ccccc2)c(=S)[nH]c1=O
Show InChI InChI=1S/C20H20N2O2S2/c1-2-17-18(23)21-20(25)22(14-24-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,21,23,25)
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n/an/an/an/a 7.80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004145
PNG
(1-Cyclohexyloxymethyl-5-ethyl-6-phenylsulfanyl-2-t...)
Show SMILES CCc1c(Sc2ccccc2)n(COC2CCCCC2)c(=S)[nH]c1=O
Show InChI InChI=1S/C19H24N2O2S2/c1-2-16-17(22)20-19(24)21(13-23-14-9-5-3-6-10-14)18(16)25-15-11-7-4-8-12-15/h4,7-8,11-12,14H,2-3,5-6,9-10,13H2,1H3,(H,20,22,24)
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n/an/an/an/a 1.60E+3n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004150
PNG
(1-Cyclohexylmethoxymethyl-5-ethyl-6-phenylsulfanyl...)
Show SMILES CCc1c(Sc2ccccc2)n(COCC2CCCCC2)c(=S)[nH]c1=O
Show InChI InChI=1S/C20H26N2O2S2/c1-2-17-18(23)21-20(25)22(14-24-13-15-9-5-3-6-10-15)19(17)26-16-11-7-4-8-12-16/h4,7-8,11-12,15H,2-3,5-6,9-10,13-14H2,1H3,(H,21,23,25)
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n/an/an/an/a 350n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008305
PNG
(1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-(2-nitro-phe...)
Show SMILES Cc1c(Sc2ccccc2[N+]([O-])=O)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H15N3O6S/c1-9-12(19)15-14(20)16(8-23-7-6-18)13(9)24-11-5-3-2-4-10(11)17(21)22/h2-5,18H,6-8H2,1H3,(H,15,19,20)
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n/an/an/an/a 1.40E+5n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004148
PNG
(1-Benzyloxymethyl-5-isopropyl-6-phenylsulfanyl-1H-...)
Show SMILES CC(C)c1c(Sc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H22N2O3S/c1-15(2)18-19(24)22-21(25)23(14-26-13-16-9-5-3-6-10-16)20(18)27-17-11-7-4-8-12-17/h3-12,15H,13-14H2,1-2H3,(H,22,24,25)
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n/an/an/an/a 2.70n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50008299
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O4S/c1-2-12-13(21)18-15(22)19(8-23-4-3-20)14(12)24-11-6-9(16)5-10(17)7-11/h5-7,20H,2-4,8H2,1H3,(H,18,21,22)
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n/an/an/an/a 14n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50061693
PNG
(6-(3,5-Dichloro-phenylsulfanyl)-5-ethyl-1-(2-hydro...)
Show SMILES CCc1c(Sc2cc(Cl)cc(Cl)c2)n(COCCO)c(=S)[nH]c1=O
Show InChI InChI=1S/C15H16Cl2N2O3S2/c1-2-12-13(21)18-15(23)19(8-22-4-3-20)14(12)24-11-6-9(16)5-10(17)7-11/h5-7,20H,2-4,8H2,1H3,(H,18,21,23)
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n/an/an/an/a 43n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058314
PNG
(5-Ethyl-1-((E)-3-phenyl-allyl)-6-phenylsulfanyl-1H...)
Show SMILES CCc1c(Sc2ccccc2)n(C\C=C\c2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C21H20N2O2S/c1-2-18-19(24)22-21(25)23(15-9-12-16-10-5-3-6-11-16)20(18)26-17-13-7-4-8-14-17/h3-14H,2,15H2,1H3,(H,22,24,25)/b12-9+
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n/an/an/an/a 190n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50058327
PNG
(5-Ethyl-6-phenylsulfanyl-1-((E)-3-thiophen-2-yl-al...)
Show SMILES CCc1c(Sc2ccccc2)n(C\C=C\c2cccs2)c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N2O2S2/c1-2-16-17(22)20-19(23)21(12-6-10-14-11-7-13-24-14)18(16)25-15-8-4-3-5-9-15/h3-11,13H,2,12H2,1H3,(H,20,22,23)/b10-6+
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n/an/an/an/a 80n/an/an/an/a



Université d'Orléans

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 reverse transcriptase


J Med Chem 40: 4257-64 (1998)


Article DOI: 10.1021/jm970110p
BindingDB Entry DOI: 10.7270/Q2WS8SC3
More data for this
Ligand-Target Pair
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