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BDBM50050629 8-Ethyl-3,4-dimethyl-7H,8H-1,3a,7,8,9-pentaaza-dibenzo[e,h]azulen-6-one::CHEMBL295930

SMILES: CCN1c2ncccc2-c2ncc(C)n2-c2c(C)cc(=O)[nH]c12

InChI Key: InChIKey=MBWIZDUMDJNIAP-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50050629   
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)
BDBM50050629
PNG
(8-Ethyl-3,4-dimethyl-7H,8H-1,3a,7,8,9-pentaaza-dib...)
Show SMILES CCN1c2ncccc2-c2ncc(C)n2-c2c(C)cc(=O)[nH]c12
Show InChI InChI=1S/C17H17N5O/c1-4-21-15-12(6-5-7-18-15)16-19-9-11(3)22(16)14-10(2)8-13(23)20-17(14)21/h5-9H,4H2,1-3H3,(H,20,23)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.22E+4n/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