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PubMed code 10072683

Compile data set for download or QSAR
Found 4 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)
BDBM50074577
PNG
(cis-(+/-)-4-Amino-5-fluoro-1-[4-(triphosphonooxyme...)
Show SMILES Nc1nc(=O)n(cc1F)C1CC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C1 |c:27|
Show InChI InChI=1S/C10H15FN3O11P3/c11-8-4-14(10(15)13-9(8)12)7-2-1-6(3-7)5-23-27(19,20)25-28(21,22)24-26(16,17)18/h1-2,4,6-7H,3,5H2,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 270n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Recombinant HIV-1 reverse transcriptase


J Med Chem 42: 859-67 (1999)


Article DOI: 10.1021/jm980510s
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50074574
PNG
(cis-(+/-)-4-Amino-1-[4-(triphosphonooxymethyl)-2-c...)
Show SMILES Nc1ccn(C2CC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C2)c(=O)n1 |c:22|
Show InChI InChI=1S/C10H16N3O11P3/c11-9-3-4-13(10(14)12-9)8-2-1-7(5-8)6-22-26(18,19)24-27(20,21)23-25(15,16)17/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21)(H2,11,12,14)(H2,15,16,17)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 380n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Recombinant HIV-1 reverse transcriptase


J Med Chem 42: 859-67 (1999)


Article DOI: 10.1021/jm980510s
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50074577
PNG
(cis-(+/-)-4-Amino-5-fluoro-1-[4-(triphosphonooxyme...)
Show SMILES Nc1nc(=O)n(cc1F)C1CC(COP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)C=C1 |c:27|
Show InChI InChI=1S/C10H15FN3O11P3/c11-8-4-14(10(15)13-9(8)12)7-2-1-6(3-7)5-23-27(19,20)25-28(21,22)24-26(16,17)18/h1-2,4,6-7H,3,5H2,(H,19,20)(H,21,22)(H2,12,13,15)(H2,16,17,18)/p-4
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Recombinant HIV-1 reverse transcriptase


J Med Chem 42: 859-67 (1999)


Article DOI: 10.1021/jm980510s
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50074590
PNG
(2'-Deoxy-3'-thiacytidine-triphosphate | CHEMBL3675...)
Show SMILES Nc1ccc([C@@H]2CS[C@H](OP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)c(=O)[nH]1
Show InChI InChI=1S/C8H13N2O12P3S/c9-6-2-1-4(7(11)10-6)5-3-26-8(19-5)20-24(15,16)22-25(17,18)21-23(12,13)14/h1-2,5,8H,3H2,(H,15,16)(H,17,18)(H3,9,10,11)(H2,12,13,14)/t5-,8-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
The compound was tested for inhibitory activity against Recombinant HIV-1 reverse transcriptase


J Med Chem 42: 859-67 (1999)


Article DOI: 10.1021/jm980510s
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%