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BDBM83223 1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-2-pyrazoline::1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-4,5-dihydro-1H-pyrazole::2-(2-methoxyphenyl)-3-phenyl-5-thiophen-2-yl-3,4-dihydropyrazole::MLS000699826::SMR000225188::cid_11835237

SMILES: COc1ccccc1N1N=C(CC1c1ccccc1)c1cccs1

InChI Key: InChIKey=OPVIXQGOGPJATJ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 83223   
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
Beta lactamase


(Pseudomonas aeruginosa)
BDBM83223
PNG
(1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-2-pyraz...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1cccs1 |c:10|
Show InChI InChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-17(19)22-18(15-8-3-2-4-9-15)14-16(21-22)20-12-7-13-24-20/h2-13,18H,14H2,1H3
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.62E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2G15ZB8
More data for this
Ligand-Target Pair
Toll-like receptor 9


(Homo sapiens (Human))
BDBM83223
PNG
(1-(2-methoxyphenyl)-5-phenyl-3-(2-thienyl)-2-pyraz...)
Show SMILES COc1ccccc1N1N=C(CC1c1ccccc1)c1cccs1 |c:10|
Show InChI InChI=1S/C20H18N2OS/c1-23-19-11-6-5-10-17(19)22-18(15-8-3-2-4-9-15)14-16(21-22)20-12-7-13-24-20/h2-13,18H,14H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 6.57E+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) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2KS6Q2P
More data for this
Ligand-Target Pair