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PubMed code 16632349

Compile data set for download or QSAR
Found 2 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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2483
PNG
((4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluor...)
Show SMILES FC(F)(F)[C@]1(OC(=O)Nc2ccc(Cl)cc12)C#CC1CC1 |r|
Show InChI InChI=1S/C14H9ClF3NO2/c15-9-3-4-11-10(7-9)13(14(16,17)18,21-12(20)19-11)6-5-8-1-2-8/h3-4,7-8H,1-2H2,(H,19,20)/t13-/m0/s1
PDB
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UniProtKB/TrEMBL

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CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

MMDB
PDB
Article
PubMed
n/an/a 800n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem Lett 16: 3430-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.012
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50185719
PNG
((R)-1-(3-aminophenyl)-4-(3-(cyclopentyloxy)-4-meth...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C(=O)C1)c1cccc(N)c1
Show InChI InChI=1S/C22H26N2O3/c1-26-20-10-9-15(11-21(20)27-19-7-2-3-8-19)16-12-22(25)24(14-16)18-6-4-5-17(23)13-18/h4-6,9-11,13,16,19H,2-3,7-8,12,14,23H2,1H3/t16-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Genomics Institute of the Novartis Research Foundation

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Bioorg Med Chem Lett 16: 3430-3 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.012
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%