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BDBM91554 4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazole::4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]thiazole::4-methyl-2-[5-(p-tolyl)-3-(2-thienyl)-2-pyrazolin-1-yl]thiazole::VU0467042-1::cid_16418711

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

InChI Key: InChIKey=XXBOOGWHOYDIQK-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 = 91554   
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...)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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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)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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)
BDBM91554
PNG
(4-methyl-2-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4...)
Show SMILES Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1
Show InChI InChI=1S/C18H17N3S2/c1-12-5-7-14(8-6-12)16-10-15(17-4-3-9-22-17)20-21(16)18-19-13(2)11-23-18/h3-9,11,16H,10H2,1-2H3
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