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PubMed code 18486994

Compile data set for download or QSAR
Found 3 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
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50479825
PNG
(CHEMBL515099)
Show SMILES [H][C@]12O[C@H](COC(=O)c3nnn(Cc4ccccc4)c3C)[C@H](OCc3ccccc3)[C@@]1([H])OC(C)(C)O2 |r|
Show InChI InChI=1S/C26H29N3O6/c1-17-21(27-28-29(17)14-18-10-6-4-7-11-18)24(30)32-16-20-22(31-15-19-12-8-5-9-13-19)23-25(33-20)35-26(2,3)34-23/h4-13,20,22-23,25H,14-16H2,1-3H3/t20-,22+,23-,25-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.98E+3n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli

Eur J Med Chem 44: 373-83 (2009)


Article DOI: 10.1016/j.ejmech.2008.02.047
BindingDB Entry DOI: 10.7270/Q2NP2776
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50479824
PNG
(CHEMBL474818)
Show SMILES [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2COC(=O)c1nnn(Cc2ccccc2)c1C |r|
Show InChI InChI=1S/C20H25N3O6/c1-12-15(21-22-23(12)10-13-8-6-5-7-9-13)18(24)26-11-14-16-17(19(25-4)27-14)29-20(2,3)28-16/h5-9,14,16-17,19H,10-11H2,1-4H3/t14-,16-,17-,19-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+3n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli

Eur J Med Chem 44: 373-83 (2009)


Article DOI: 10.1016/j.ejmech.2008.02.047
BindingDB Entry DOI: 10.7270/Q2NP2776
More data for this
Ligand-Target Pair
Reverse transcriptase


(Human immunodeficiency virus 1)		BDBM50479826
PNG
(CHEMBL473157)
Show SMILES [H][C@@]1(COC(C)(C)O1)[C@@]1([H])O[C@]2([H])OC(C)(C)O[C@]2([H])[C@H]1OC(=O)c1nnn(Cc2ccccc2)c1C |r|
Show InChI InChI=1S/C23H29N3O7/c1-13-16(24-25-26(13)11-14-9-7-6-8-10-14)20(27)29-18-17(15-12-28-22(2,3)31-15)30-21-19(18)32-23(4,5)33-21/h6-10,15,17-19,21H,11-12H2,1-5H3/t15-,17-,18+,19-,21-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Universidade Federal Fluminense

Curated by ChEMBL


Assay Description
Inhibition of polymerase activity of HIV1 recombinant reverse transcriptase expressed in Escherichia coli

Eur J Med Chem 44: 373-83 (2009)


Article DOI: 10.1016/j.ejmech.2008.02.047
BindingDB Entry DOI: 10.7270/Q2NP2776
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%