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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase/RNaseH' and Ligand = 'BDBM50078261'   
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/RNaseH


(Human immunodeficiency virus 1)
BDBM50078261
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-phenyl)-et...)
Show SMILES Clc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H13BrClN3S/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of purified recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 9: 1593-8 (1999)


BindingDB Entry DOI: 10.7270/Q27H1K3Q
More data for this
Ligand-Target Pair
Reverse transcriptase/RNaseH


(Human immunodeficiency virus 1)
BDBM50078261
PNG
(1-(5-Bromo-pyridin-2-yl)-3-[2-(2-chloro-phenyl)-et...)
Show SMILES Clc1ccccc1CCNC(=S)Nc1ccc(Br)cn1
Show InChI InChI=1S/C14H13BrClN3S/c15-11-5-6-13(18-9-11)19-14(20)17-8-7-10-3-1-2-4-12(10)16/h1-6,9H,7-8H2,(H2,17,18,19,20)
PDB
MMDB

UniProtKB/TrEMBL

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

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant HIV-1 reverse transcriptase


Bioorg Med Chem Lett 10: 87-90 (2000)


BindingDB Entry DOI: 10.7270/Q27080NB
More data for this
Ligand-Target Pair