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BDBM47866 1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxaldehyde::1-(phenylmethyl)-3-pyridin-3-yl-pyrazole-4-carbaldehyde::1-benzyl-3-(3-pyridyl)pyrazole-4-carbaldehyde::1-benzyl-3-pyridin-3-ylpyrazole-4-carbaldehyde::MLS000772304::SMR000344540::cid_2497380

SMILES: O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1

InChI Key: InChIKey=WLALNLLKMJDSEF-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 47866   
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
3C-like protease


(Avian infectious bronchitis virus)
BDBM47866
PNG
(1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolecarboxa...)
Show SMILES O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
Show InChI InChI=1S/C16H13N3O/c20-12-15-11-19(10-13-5-2-1-3-6-13)18-16(15)14-7-4-8-17-9-14/h1-9,11-12H,10H2
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 7.21E+3n/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 (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q29K48NM
More data for this
Ligand-Target Pair