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BDBM55614 3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea::3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-4,5-dihydrothiazol-2-yl)urea::3-(3-chlorophenyl)-1-(4-methyl-2-thiazolin-2-yl)-1-o-phenetyl-urea::MLS000391521::SMR000260556::cid_5092626

SMILES: CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1

InChI Key: InChIKey=HQYDKFFPSWZXSM-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 55614   
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
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55614
PNG
(3-(3-chlorophenyl)-1-(2-ethoxyphenyl)-1-(4-methyl-...)
Show SMILES CCOc1ccccc1N(C(=O)Nc1cccc(Cl)c1)C1=NC(C)CS1
Show InChI InChI=1S/C19H20ClN3O2S/c1-3-25-17-10-5-4-9-16(17)23(19-21-13(2)12-26-19)18(24)22-15-8-6-7-14(20)11-15/h4-11,13H,3,12H2,1-2H3,(H,22,24)
PDB
MMDB

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Similars

PCBioAssay
n/an/a 5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair