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BDBM54969 2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4(1H)-quinazolinethione::2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazoline-4-thione::MLS000579915::SMR000199154::cid_1589611

SMILES: COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1ccc(Br)cc1

InChI Key: InChIKey=DRDNAUIXNRGAKW-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 54969   
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
core protein


(Hepatitis C virus)
BDBM54969
PNG
(2-(4-bromophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetr...)
Show SMILES COc1ccc(cc1)-n1c2CCCCc2c(=S)nc1-c1ccc(Br)cc1
Show InChI InChI=1S/C21H19BrN2OS/c1-25-17-12-10-16(11-13-17)24-19-5-3-2-4-18(19)21(26)23-20(24)14-6-8-15(22)9-7-14/h6-13H,2-5H2,1H3
UniProtKB/TrEMBL

GoogleScholar
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>4.98E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29Z939R
More data for this
Ligand-Target Pair