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BDBM83262 MLS001065950::N-butyl-2-(3-hexylsulfanyl-4-methoxy-phenyl)imidazo[1,2-a]pyrazin-3-amine::N-butyl-2-(3-hexylsulfanyl-4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine::N-butyl-2-[3-(hexylthio)-4-methoxyphenyl]-3-imidazo[1,2-a]pyrazinamine::SMR000814612::butyl-[2-[3-(hexylthio)-4-methoxy-phenyl]imidazo[1,2-a]pyrazin-3-yl]amine::cid_42601091

SMILES: CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCCCC

InChI Key: InChIKey=FSFSKAMHJFQQHQ-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 = 83262   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83262
PNG
(MLS001065950 | N-butyl-2-(3-hexylsulfanyl-4-methox...)
Show SMILES CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCCCC
Show InChI InChI=1S/C23H32N4OS/c1-4-6-8-9-15-29-20-16-18(10-11-19(20)28-3)22-23(25-12-7-5-2)27-14-13-24-17-21(27)26-22/h10-11,13-14,16-17,25H,4-9,12,15H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 7.43E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500887n
BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83262
PNG
(MLS001065950 | N-butyl-2-(3-hexylsulfanyl-4-methox...)
Show SMILES CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCCCC
Show InChI InChI=1S/C23H32N4OS/c1-4-6-8-9-15-29-20-16-18(10-11-19(20)28-3)22-23(25-12-7-5-2)27-14-13-24-17-21(27)26-22/h10-11,13-14,16-17,25H,4-9,12,15H2,1-3H3
Reactome pathway

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PCBioAssay
n/an/a 1.00E+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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


Article DOI: 10.1021/bi500711x
BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair