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BDBM91543 1,3,5-triphenyl-2-pyrazoline::2,3,5-triphenyl-3,4-dihydropyrazole::VU0466999-1::cid_95937

SMILES: C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1

InChI Key: InChIKey=FGCZQOHSWGMVPN-UHFFFAOYSA-N

Data: 2 KI  3 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 5 hits for monomerid = 91543   
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
Cathepsin H


(Capra hircus (Goat))
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
5.39E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
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PC sid
UniChem

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Article
PubMed
9.09E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

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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/Q2668BRK
More data for this
Ligand-Target Pair
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

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/Q29Z93G0
More data for this
Ligand-Target Pair
botulinum neurotoxin type F, BoNT/F


(Clostridium botulinum Bf)
BDBM91543
PNG
(1,3,5-triphenyl-2-pyrazoline | 2,3,5-triphenyl-3,4...)
Show SMILES C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H18N2/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23(22-20)19-14-8-3-9-15-19/h1-15,21H,16H2
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

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/Q22F7M0T
More data for this
Ligand-Target Pair