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PubMed code 8648598

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
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050533
PNG
(6-BENZYL-1-BENZYLOXYMETHYL-5-ISOPROPYL URACIL | 6-...)
Show SMILES CC(C)c1c(Cc2ccccc2)n(COCc2ccccc2)c(=O)[nH]c1=O
Show InChI InChI=1S/C22H24N2O3/c1-16(2)20-19(13-17-9-5-3-6-10-17)24(22(26)23-21(20)25)15-27-14-18-11-7-4-8-12-18/h3-12,16H,13-15H2,1-2H3,(H,23,25,26)
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UniProtKB/TrEMBL

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PC cid
PC sid
PDB
UniChem
PDB
Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Oxford

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 reverse transcriptase


J Med Chem 39: 1589-600 (1996)


Article DOI: 10.1021/jm960056x
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM2337
PNG
(6-benzyl-1-(ethoxymethyl)-5-(propan-2-yl)-1,2,3,4-...)
Show SMILES CCOCn1c(Cc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-4-22-11-19-14(10-13-8-6-5-7-9-13)15(12(2)3)16(20)18-17(19)21/h5-9,12H,4,10-11H2,1-3H3,(H,18,20,21)
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UniProtKB/TrEMBL

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PC cid
PC sid
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UniChem

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MMDB
PDB
Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Oxford

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 reverse transcriptase


J Med Chem 39: 1589-600 (1996)


Article DOI: 10.1021/jm960056x
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50004152
PNG
((HEPT) 1-(2-Hydroxy-ethoxymethyl)-5-methyl-6-pheny...)
Show SMILES Cc1c(Sc2ccccc2)n(COCCO)c(=O)[nH]c1=O
Show InChI InChI=1S/C14H16N2O4S/c1-10-12(18)15-14(19)16(9-20-8-7-17)13(10)21-11-5-3-2-4-6-11/h2-6,17H,7-9H2,1H3,(H,15,18,19)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PDB
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



Oxford

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against HIV-1 reverse transcriptase


J Med Chem 39: 1589-600 (1996)


Article DOI: 10.1021/jm960056x
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%