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BDBM40722 MLS000551617::N-[5-(4-Bromo-phenyl)-7-(4-methoxy-phenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-methanes ulfonamide::N-[5-(4-bromophenyl)-7-(4-methoxyphenyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanesulfonamide::SMR000145542::cid_6096730

SMILES: COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1

InChI Key: InChIKey=VFGLVNAVIIQDMK-UHFFFAOYSA-N

Data: 1 IC50  1 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 2 hits for monomerid = 40722   
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
LANA


(Human herpesvirus 8)
BDBM40722
PNG
(MLS000551617 | N-[5-(4-Bromo-phenyl)-7-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|
Show InChI InChI=1S/C19H18BrN5O3S/c1-28-15-9-5-13(6-10-15)17-11-16(12-3-7-14(20)8-4-12)21-19-22-18(23-25(17)19)24-29(2,26)27/h3-10,17H,11H2,1-2H3,(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/an/an/a 1.73E+4n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Primary Collaborators: Kenneth Kaye,Brigham & Womens,Boston MA,kkaye@rics.bwh.harvard.edu,617-525-4256 Chantal Beauchemin,Brigham & Womens,Boston MA,...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2HH6HHN
More data for this
Ligand-Target Pair
nuclear receptor subfamily 4, group A, member 1


(Homo sapiens (Human))
BDBM40722
PNG
(MLS000551617 | N-[5-(4-Bromo-phenyl)-7-(4-methoxy-...)
Show SMILES COc1ccc(cc1)C1CC(=Nc2nc(NS(C)(=O)=O)nn12)c1ccc(Br)cc1 |c:11|
Show InChI InChI=1S/C19H18BrN5O3S/c1-28-15-9-5-13(6-10-15)17-11-16(12-3-7-14(20)8-4-12)21-19-22-18(23-25(17)19)24-29(2,26)27/h3-10,17H,11H2,1-2H3,(H,23,24)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

PCBioAssay
n/an/a>1.56E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Sanford-Burnham Center for Chemical Genomics (SBCCG) Sanford-Burnham Medical Research Institute (San Diego, CA) NIH Molecular Libraries Screening Cen...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q29C6VTK
More data for this
Ligand-Target Pair