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Articleid 50034809

Compile data set for download or QSAR
Found 3 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)
BDBM50370476
PNG
(Combivir | ZIDOVUDINE TRIPHOSPHATE)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)OP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H16N5O13P3/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(26-8)4-25-30(21,22)28-31(23,24)27-29(18,19)20/h3,6-8H,2,4H2,1H3,(H,21,22)(H,23,24)(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
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KEGG
PC cid
PC sid
PDB
UniChem
PDB
Article
n/an/a 43n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 2315-2320 (1995)


Article DOI: 10.1016/0960-894X(95)00401-E
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285469
PNG
(3-{[(2S,3R,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-d...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)CCCP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C13H21N5O9P2/c1-8-6-18(13(20)15-12(8)19)11-5-9(16-17-14)10(27-11)7-26-29(24,25)4-2-3-28(21,22)23/h6,9-11H,2-5,7H2,1H3,(H,24,25)(H,15,19,20)(H2,21,22,23)/p-3
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PC cid
PC sid
UniChem
Article
n/an/a 3.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 2315-2320 (1995)


Article DOI: 10.1016/0960-894X(95)00401-E
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50285468
PNG
({[(2S,3R,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dih...)
Show SMILES Cc1cn(C2CC(N=[N+]=[N-])C(COP([O-])(=O)CP([O-])(=O)CP([O-])([O-])=O)O2)c(=O)[nH]c1=O
Show InChI InChI=1S/C12H20N5O11P3/c1-7-3-17(12(19)14-11(7)18)10-2-8(15-16-13)9(28-10)4-27-31(25,26)6-29(20,21)5-30(22,23)24/h3,8-10H,2,4-6H2,1H3,(H,20,21)(H,25,26)(H,14,18,19)(H2,22,23,24)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
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GoogleScholar
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PC cid
PC sid
UniChem
Article
n/an/a 4.80E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


Bioorg Med Chem Lett 5: 2315-2320 (1995)


Article DOI: 10.1016/0960-894X(95)00401-E
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%