BindingDB logo
myBDB logout

BDBM50036546 6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-triaza-benzo[cd]azulene-1-thione::CHEMBL65800

SMILES: CCCN1CCn2c3c(cccc3[nH]c2=S)C1C

InChI Key: InChIKey=IDSUVRQZWRBRDN-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50036546   
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
Reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50036546
PNG
(6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...)
Show SMILES CCCN1CCn2c3c(cccc3[nH]c2=S)C1C
Show InChI InChI=1S/C14H19N3S/c1-3-7-16-8-9-17-13-11(10(16)2)5-4-6-12(13)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 2.46E+3n/an/an/an/an/an/a



Jadavpur University

Curated by ChEMBL


Assay Description
Inhibition of HIV1 reverse transcriptase


Eur J Med Chem 44: 1509-24 (2009)


BindingDB Entry DOI: 10.7270/Q29889TP
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 reverse transcriptase


(Human immunodeficiency virus 1)
BDBM50036546
PNG
(6-Methyl-7-propyl-6,7,8,9-tetrahydro-2H-2,7,9a-tri...)
Show SMILES CCCN1CCn2c3c(cccc3[nH]c2=S)C1C
Show InChI InChI=1S/C14H19N3S/c1-3-7-16-8-9-17-13-11(10(16)2)5-4-6-12(13)15-14(17)18/h4-6,10H,3,7-9H2,1-2H3,(H,15,18)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a



IBM Thomas J. Watson Research Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against HIV-1 replication by interfering with virus reverse transcriptase


J Med Chem 39: 2129-40 (1996)


Article DOI: 10.1021/jm950589q
BindingDB Entry DOI: 10.7270/Q2697471
More data for this
Ligand-Target Pair