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BDBM64853 MLS000713953::N-(2,6-dimethoxy-4-pyrimidinyl)-4-[[4-(2-pyridinyl)-2-thiazolyl]amino]benzenesulfonamide;hydrobromide::N-(2,6-dimethoxypyrimidin-4-yl)-4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide;hydrobromide::N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2-pyridyl)thiazol-2-yl]amino]benzenesulfonamide;hydrobromide::SMR000273434::cid_16192648

SMILES: COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccn3)cc2)nc(OC)n1

InChI Key: InChIKey=WELJITUOJGFGOJ-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 = 64853   
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
BZLF1


(Human herpesvirus 4)
BDBM64853
PNG
(MLS000713953 | N-(2,6-dimethoxy-4-pyrimidinyl)-4-[...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccn3)cc2)nc(OC)n1
Show InChI InChI=1S/C20H18N6O4S2/c1-29-18-11-17(24-19(25-18)30-2)26-32(27,28)14-8-6-13(7-9-14)22-20-23-16(12-31-20)15-5-3-4-10-21-15/h3-12H,1-2H3,(H,22,23)(H,24,25,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>6.70E+4n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2BC3X0T
More data for this
Ligand-Target Pair
Mu-type opioid receptor


(Homo sapiens (Human))
BDBM64853
PNG
(MLS000713953 | N-(2,6-dimethoxy-4-pyrimidinyl)-4-[...)
Show SMILES COc1cc(NS(=O)(=O)c2ccc(Nc3nc(cs3)-c3ccccn3)cc2)nc(OC)n1
Show InChI InChI=1S/C20H18N6O4S2/c1-29-18-11-17(24-19(25-18)30-2)26-32(27,28)14-8-6-13(7-9-14)22-20-23-16(12-31-20)15-5-3-4-10-21-15/h3-12H,1-2H3,(H,22,23)(H,24,25,26)
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 3.63E+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 (2010)


BindingDB Entry DOI: 10.7270/Q2QN656Q
More data for this
Ligand-Target Pair