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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Reverse transcriptase protein' and Ligand = 'BDBM50478975'   
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 protein


(Human immunodeficiency virus 1)
BDBM50478975
PNG
(AZIDOTHYMIDINE MONOPHOSPHATE | Zidovudine Monophos...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 77n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M184V mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated DNA/DNA temp...


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478975
PNG
(AZIDOTHYMIDINE MONOPHOSPHATE | Zidovudine Monophos...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 21n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/K65R mutant assessed as ATP-mediated excision of zidovudine-monophosphate termina...


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478975
PNG
(AZIDOTHYMIDINE MONOPHOSPHATE | Zidovudine Monophos...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 98n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y/M184V mutant assessed as ATP-mediated excision of zidovudine-monophosphate termin...


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair
Reverse transcriptase protein


(Human immunodeficiency virus 1)
BDBM50478975
PNG
(AZIDOTHYMIDINE MONOPHOSPHATE | Zidovudine Monophos...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](COP(O)(O)=O)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H14N5O7P/c1-5-3-15(10(17)12-9(5)16)8-2-6(13-14-11)7(22-8)4-21-23(18,19)20/h3,6-8H,2,4H2,1H3,(H,12,16,17)(H2,18,19,20)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/an/a 19n/an/an/an/an/a



University of Pittsburgh School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to HIV1 LAI reverse transcriptase M41L/L210W/T215Y mutant assessed as ATP-mediated excision of zidovudine-monophosphate terminated D...


Antimicrob Agents Chemother 52: 157-63 (2008)


Article DOI: 10.1128/aac.00904-07
BindingDB Entry DOI: 10.7270/Q2CV4MK7
More data for this
Ligand-Target Pair