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BDBM91552 2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methyl-1,3-thiazole::2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-methylthiazole::2-[5-(4-fluorophenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-4-methyl-thiazole::VU0467040-1::cid_16420926

SMILES: Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1

InChI Key: InChIKey=WDMYQFSMYIMZMI-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 = 91552   
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...)
BDBM91552
PNG
(2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydrop...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C17H14FN3S2/c1-11-10-23-17(19-11)21-15(12-4-6-13(18)7-5-12)9-14(20-21)16-3-2-8-22-16/h2-8,10,15H,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
Purchase

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


(Clostridium botulinum Bf)
BDBM91552
PNG
(2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydrop...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C17H14FN3S2/c1-11-10-23-17(19-11)21-15(12-4-6-13(18)7-5-12)9-14(20-21)16-3-2-8-22-16/h2-8,10,15H,9H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

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/Q22F7M0T
More data for this
Ligand-Target Pair
Antrax lethal toxin


(Bacillus anthracis)
BDBM91552
PNG
(2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydrop...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1
Show InChI InChI=1S/C17H14FN3S2/c1-11-10-23-17(19-11)21-15(12-4-6-13(18)7-5-12)9-14(20-21)16-3-2-8-22-16/h2-8,10,15H,9H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

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/Q2668BRK
More data for this
Ligand-Target Pair