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Compile Data Set for Download or QSAR

Found 18 hits with Last Name = 'hénin' and Initial = 'y'   
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)
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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PubMed
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)
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
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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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
PDB
MMDB

UniProtKB/TrEMBL

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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
PDB
MMDB

UniProtKB/TrEMBL

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PC cid
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UniChem
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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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
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KEGG
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
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
PDB
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UniProtKB/TrEMBL

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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
PDB
MMDB

UniProtKB/TrEMBL

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UniChem
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PubMed
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
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
MMDB

UniProtKB/TrEMBL

B.MOAD
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UniChem
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PubMed
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)
PDB
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UniProtKB/TrEMBL

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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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem
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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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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PC cid
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UniChem
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PubMed
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
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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UniChem
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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
PDB
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UniProtKB/TrEMBL

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UniChem
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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
PDB
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UniProtKB/TrEMBL

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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
PDB
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UniProtKB/TrEMBL

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PubMed
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)
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
PDB
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UniProtKB/TrEMBL

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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