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BDBM47907 1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-chloranyl-ethanone::2-chloro-1-[3-[4-(difluoromethoxy)-3-methoxyphenyl]-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone::2-chloro-1-[5-[4-(difluoromethoxy)-3-methoxy-phenyl]-3-(2-thienyl)-2-pyrazolin-1-yl]ethanone::MLS001178294::SMR000591908::cid_3859741

SMILES: COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1

InChI Key: InChIKey=DUDITNSSGPGFJY-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 47907   
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)
BDBM47907
PNG
(1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...)
Show SMILES COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
Show InChI InChI=1S/C17H15ClF2N2O3S/c1-24-14-7-10(4-5-13(14)25-17(19)20)12-8-11(15-3-2-6-26-15)21-22(12)16(23)9-18/h2-7,12,17H,8-9H2,1H3
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.80E+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
Bcl-2-like protein 11


(Homo sapiens (Human))
BDBM47907
PNG
(1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...)
Show SMILES COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
Show InChI InChI=1S/C17H15ClF2N2O3S/c1-24-14-7-10(4-5-13(14)25-17(19)20)12-8-11(15-3-2-6-26-15)21-22(12)16(23)9-18/h2-7,12,17H,8-9H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 5.06E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q24J0CKJ
More data for this
Ligand-Target Pair
Hsf1 protein


(Mus musculus)
BDBM47907
PNG
(1-[3-[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]-...)
Show SMILES COc1cc(ccc1OC(F)F)C1CC(=NN1C(=O)CCl)c1cccs1 |c:15|
Show InChI InChI=1S/C17H15ClF2N2O3S/c1-24-14-7-10(4-5-13(14)25-17(19)20)12-8-11(15-3-2-6-26-15)21-22(12)16(23)9-18/h2-7,12,17H,8-9H2,1H3
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 3.04E+3n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Heat Shock Factor-1 (HSF-1), Stress Response, MG132, NIH3T3, Luminescence Assay Overview: Modified NIH3T3, transformed to express firefly...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2MW2FKX
More data for this
Ligand-Target Pair