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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Human immunodeficiency virus type 1 reverse transcriptase' and Ligand = 'BDBM50050634'   
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)
BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.10E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rN.dN template pr...


Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.40E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit HIV-1 IIIB reverse transcriptase catalyzed incorporation of tritiated thymidine triphosphate onto a biotinylated rA.dT template pr...


Bioorg Med Chem Lett 2: 1745-1750 (1992)


Article DOI: 10.1016/S0960-894X(00)80468-0
BindingDB Entry DOI: 10.7270/Q2X63MW9
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50050634
PNG
((8-Ethyl-3-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2ccc(nc12)N(C)C
Show InChI InChI=1S/C18H20N6/c1-5-23-16-13(7-6-10-19-16)17-20-11-12(2)24(17)14-8-9-15(22(3)4)21-18(14)23/h6-11H,5H2,1-4H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.40E+3n/an/an/an/an/an/a



National Cancer Institute-FCRDC

Curated by ChEMBL


Assay Description
Inhibitory activity against HIV-1 reverse transcriptase


J Med Chem 39: 1645-50 (1996)


Article DOI: 10.1021/jm9508088
BindingDB Entry DOI: 10.7270/Q2VD6XJ4
More data for this
Ligand-Target Pair