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PubMed code 9873370

Compile data set for download or QSAR
Found 5 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)
BDBM50070471
PNG
(6-(3,5-Dimethyl-benzyl)-5-isopropyl-2-methylsulfan...)
Show SMILES CSCSc1nc(Cc2cc(C)cc(C)c2)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C18H24N2OS2/c1-11(2)16-15(9-14-7-12(3)6-13(4)8-14)19-18(20-17(16)21)23-10-22-5/h6-8,11H,9-10H2,1-5H3,(H,19,20,21)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 4.80E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase


Bioorg Med Chem Lett 8: 1461-6 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070469
PNG
(6-Benzyl-5-isopropyl-2-methylsulfanylmethylsulfany...)
Show SMILES CSCSc1nc(Cc2ccccc2)c(C(C)C)c(=O)[nH]1
Show InChI InChI=1S/C16H20N2OS2/c1-11(2)14-13(9-12-7-5-4-6-8-12)17-16(18-15(14)19)21-10-20-3/h4-8,11H,9-10H2,1-3H3,(H,17,18,19)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 6.10E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase


Bioorg Med Chem Lett 8: 1461-6 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070468
PNG
(6-Benzyl-5-ethyl-2-methylsulfanylmethylsulfanyl-3H...)
Show SMILES CCc1c(Cc2ccccc2)nc(SCSC)[nH]c1=O
Show InChI InChI=1S/C15H18N2OS2/c1-3-12-13(9-11-7-5-4-6-8-11)16-15(17-14(12)18)20-10-19-2/h4-8H,3,9-10H2,1-2H3,(H,16,17,18)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase


Bioorg Med Chem Lett 8: 1461-6 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50070470
PNG
(6-Benzyl-5-methyl-2-methylsulfanylmethylsulfanyl-3...)
Show SMILES CSCSc1nc(Cc2ccccc2)c(C)c(=O)[nH]1
Show InChI InChI=1S/C14H16N2OS2/c1-10-12(8-11-6-4-3-5-7-11)15-14(16-13(10)17)19-9-18-2/h3-7H,8-9H2,1-2H3,(H,15,16,17)
PDB
MMDB

UniProtKB/TrEMBL

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

Patents

PubMed
n/an/a 1.88E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase


Bioorg Med Chem Lett 8: 1461-6 (1999)

More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50002692
PNG
((AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-...)
Show SMILES Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O |r|
Show InChI InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

Patents

PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Compound was evaluated for enzymatic inhibitory activity against recombinant HIV reverse transcriptase


Bioorg Med Chem Lett 8: 1461-6 (1999)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%