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PubMed code 2479745

Compile data set for download or QSAR
Found 5 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)
BDBM50016534
PNG
(1-(4-azido-5-{[(1,2,3,3-tetrahydroxy-1,2,3-trioxid...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP(O)(=O)P(O)(=O)P(O)(O)=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C10H16N5O11P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-28(21,22)29(23,24)27(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 34n/an/an/an/an/an/a



Showa University

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer


J Med Chem 32: 2507-9 (1989)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a 1.50E+5n/an/an/an/an/an/a



Showa University

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rC)-oligo(dG) template primer


J Med Chem 32: 2507-9 (1989)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50016535
PNG
(5-methyl-6-(phenylthio)-1-({2-[(1,2,3,3-tetrahydro...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCOP(O)(=O)P(O)(=O)P(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H19N2O11P3S/c1-10-12(17)15-14(18)16(13(10)31-11-5-3-2-4-6-11)9-26-7-8-27-29(22,23)30(24,25)28(19,20)21/h2-6H,7-9H2,1H3,(H,22,23)(H,24,25)(H,15,17,18)(H2,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.80E+5n/an/an/an/an/an/a



Showa University

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rC)-oligo(dG) template primer


J Med Chem 32: 2507-9 (1989)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem

Patents

PDB
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Showa University

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer


J Med Chem 32: 2507-9 (1989)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50016535
PNG
(5-methyl-6-(phenylthio)-1-({2-[(1,2,3,3-tetrahydro...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCOP(O)(=O)P(O)(=O)P(O)(O)=O)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H19N2O11P3S/c1-10-12(17)15-14(18)16(13(10)31-11-5-3-2-4-6-11)9-26-7-8-27-29(22,23)30(24,25)28(19,20)21/h2-6H,7-9H2,1H3,(H,22,23)(H,24,25)(H,15,17,18)(H2,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



Showa University

Curated by ChEMBL


Assay Description
Inhibitory effect of the compound on HIV-1 reverse transcriptase activity using poly(rA)-oligo(dT) template primer


J Med Chem 32: 2507-9 (1989)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%