BindingDB logo
myBDB logout

BDBM91548 3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-3,4-dihydropyrazole::5-(1,3-benzodioxol-5-yl)-1,3-diphenyl-2-pyrazoline::VU0466993-1::cid_2729175

SMILES: C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1

InChI Key: InChIKey=OMXGMDCWDJHQIA-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 91548   
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
botulinum neurotoxin type A


(Clostridium botulinum (strain Hall / ATCC 3502 / N...)
BDBM91548
PNG
(3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-3,4-dihydrop...)
Show SMILES C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-3-7-16(8-4-1)19-14-20(24(23-19)18-9-5-2-6-10-18)17-11-12-21-22(13-17)26-15-25-21/h1-13,20H,14-15H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

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


(Clostridium botulinum Bf)
BDBM91548
PNG
(3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-3,4-dihydrop...)
Show SMILES C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-3-7-16(8-4-1)19-14-20(24(23-19)18-9-5-2-6-10-18)17-11-12-21-22(13-17)26-15-25-21/h1-13,20H,14-15H2
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
Antrax lethal toxin


(Bacillus anthracis)
BDBM91548
PNG
(3-(1,3-benzodioxol-5-yl)-2,5-diphenyl-3,4-dihydrop...)
Show SMILES C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C22H18N2O2/c1-3-7-16(8-4-1)19-14-20(24(23-19)18-9-5-2-6-10-18)17-11-12-21-22(13-17)26-15-25-21/h1-13,20H,14-15H2
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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/Q2668BRK
More data for this
Ligand-Target Pair