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BDBM81261 3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyrazolo[1,5-a]indol-1-iumylidene)methyl]aniline;trifluoromethanesulfonate::3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-pyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;tris(fluoranyl)methanesulfonate::3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate::MLS002702449::SMR001566010::[3-methoxy-4-[(1-methyl-2-phenyl-pyrazol[1,5-a]indol-1-ium-4-ylidene)methyl]phenyl]-dimethyl-amine;triflate::cid_395175

SMILES: COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C

InChI Key: InChIKey=TUJQGUUEWCJHJR-UHFFFAOYSA-N

Data: 5 IC50  2 EC50

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 7 hits for monomerid = 81261   
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
Thrombin


(Bos taurus (Bovine))
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.18E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2JM286J
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q26D5RK7
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>2.00E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 R03 MH093184-01A1 Project Title: High-throughput multiplex microsphere screening for tox...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q22N50WB
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.63E+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 (2013)


BindingDB Entry DOI: 10.7270/Q2GM85ZT
More data for this
Ligand-Target Pair
COUP transcription factor 2 isoform a


(Homo sapiens (Human))
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 4.89E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q21Z431S
More data for this
Ligand-Target Pair
Group III secretory phopholipase A2


(Homo sapiens (Human))
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
KEGG

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 1.92E+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 (2014)


BindingDB Entry DOI: 10.7270/Q2CV4GCW
More data for this
Ligand-Target Pair
26S Proteasome regulatory subunit Rpn11 (Rpn11)


(Homo sapiens (Human))
BDBM81261
PNG
(3-methoxy-N,N-dimethyl-4-[(1-methyl-2-phenyl-4-pyr...)
Show SMILES COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
Show InChI InChI=1S/C27H26N3O/c1-28(2)21-15-14-20(27(17-21)31-4)16-23-22-12-8-9-13-24(22)30-26(23)18-25(29(30)3)19-10-6-5-7-11-19/h5-18H,1-4H3/q+1
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.49E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford Burnham Medical Research Institute (SBMRI, La Jolla, CA...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2PC30Z9
More data for this
Ligand-Target Pair