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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase' and Ligand = 'BDBM50532849'   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50532849
PNG
(CHEMBL4592520)
Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN3O/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(28)11-9-18)24-19(14-29)16-31(26(24)30-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...


Bioorg Med Chem Lett 26: 4101-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.065
BindingDB Entry DOI: 10.7270/Q27S7S8G
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50532849
PNG
(CHEMBL4592520)
Show SMILES CC1(C)CC(=O)c2c(C1)nc1n(Cc3ccccc3)cc(C#N)c1c2-c1ccc(F)cc1
Show InChI InChI=1S/C27H22FN3O/c1-27(2)12-21-25(22(32)13-27)23(18-8-10-20(28)11-9-18)24-19(14-29)16-31(26(24)30-21)15-17-6-4-3-5-7-17/h3-11,16H,12-13,15H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 RT using 17-mer DNA/Alexa Fluor 488 5'-end labeled DNA/Alexa Fluor 555-aha-dUTP as primer/template/substrate preincubated for 10 m...


Bioorg Med Chem Lett 26: 4101-5 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.065
BindingDB Entry DOI: 10.7270/Q27S7S8G
More data for this
Ligand-Target Pair