new BindingDB logo
myBDB logout

BDBM50050633 8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulene::CHEMBL297982

SMILES: CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12

InChI Key: InChIKey=BHQQDVQUHQVYDF-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50050633   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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)
BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 245n/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)
BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
n/an/a 1.62E+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)
BDBM50050633
PNG
(8-Ethyl-4-methyl-8H-1,3a,7,8,9-pentaaza-dibenzo[e,...)
Show SMILES CCN1c2ncccc2-c2nccn2-c2c(C)ccnc12
Show InChI InChI=1S/C16H15N5/c1-3-20-14-12(5-4-7-17-14)15-19-9-10-21(15)13-11(2)6-8-18-16(13)20/h4-10H,3H2,1-2H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.62E+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