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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 = 'BDBM50050636'   
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)
BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 217n/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)
BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 2.05E+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)
BDBM50050636
PNG
(8-Cyclopropyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibe...)
Show SMILES Cc1ccnc2N(C3CC3)c3ncccc3-c3nccn3-c12
Show InChI InChI=1S/C17H15N5/c1-11-6-8-19-17-14(11)21-10-9-20-15(21)13-3-2-7-18-16(13)22(17)12-4-5-12/h2-3,6-10,12H,4-5H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.05E+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