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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50152192'   
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)
BDBM50152192
PNG
(Phosphoric acid 4-(6-amino-purin-9-yl)-3-hydroxy-t...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP([O-])(=O)OCC2OCC(C2O)n2cnc3c(N)ncnc23)C(COP([O-])([O-])=O)O1
Show InChI InChI=1S/C20H26N10O11P2/c21-17-14-19(25-5-23-17)29(7-27-14)9-2-37-12(16(9)31)4-39-43(35,36)41-10-1-13(40-11(10)3-38-42(32,33)34)30-8-28-15-18(22)24-6-26-20(15)30/h5-13,16,31H,1-4H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)(H2,32,33,34)/p-3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity against strand transfer in wild-type HIV-1 integrase was determined using 21-mer oligonucleotide substrate


Bioorg Med Chem Lett 14: 4815-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.050
BindingDB Entry DOI: 10.7270/Q2QV3N8B
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50152192
PNG
(Phosphoric acid 4-(6-amino-purin-9-yl)-3-hydroxy-t...)
Show SMILES Nc1ncnc2n(cnc12)C1CC(OP([O-])(=O)OCC2OCC(C2O)n2cnc3c(N)ncnc23)C(COP([O-])([O-])=O)O1
Show InChI InChI=1S/C20H26N10O11P2/c21-17-14-19(25-5-23-17)29(7-27-14)9-2-37-12(16(9)31)4-39-43(35,36)41-10-1-13(40-11(10)3-38-42(32,33)34)30-8-28-15-18(22)24-6-26-20(15)30/h5-13,16,31H,1-4H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)(H2,32,33,34)/p-3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Georgia

Curated by ChEMBL


Assay Description
Inhibitory activity against 3'-processing step in wild-type HIV-1 integrase was determined using 21-mer oligonucleotide substrate


Bioorg Med Chem Lett 14: 4815-7 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.050
BindingDB Entry DOI: 10.7270/Q2QV3N8B
More data for this
Ligand-Target Pair