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BDBM79604 2-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one::2-[3-(2-bromo-6-chloro-4-methyl-phenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one::2-[3-(2-bromo-6-chloro-4-methylphenoxy)propylsulfanyl]-6-methyl-1H-pyrimidin-4-one::2-[3-(2-bromo-6-chloro-4-methylphenoxy)propylthio]-6-methyl-1H-pyrimidin-4-one::VU0170460-3::cid_2216015

SMILES: Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[nH]2)c(Br)c1

InChI Key: InChIKey=CNHRXDHKSPZRDK-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79604   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
integrin alpha-L


(Mus musculus)
BDBM79604
PNG
(2-[3-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)prop...)
Show SMILES Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[nH]2)c(Br)c1
Show InChI InChI=1S/C15H16BrClN2O2S/c1-9-6-11(16)14(12(17)7-9)21-4-3-5-22-15-18-10(2)8-13(20)19-15/h6-8H,3-5H2,1-2H3,(H,18,19,20)
Reactome pathway

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 1.71E+4n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1 X01 MH085707-01 Project Title: HTS for developing T Cell Immune Modulators Assay Provid...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2XW4H88
More data for this
Ligand-Target Pair