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BDBM55571 MLS000583547::N-(3-chlorophenyl)-2-({2-[2-(5-methyl-1H-imidazol-1-yl)ethyl][1,2,4]triazolo[1,5-c]quinazolin-5-yl}thio)acetamide::N-(3-chlorophenyl)-2-[[2-[2-(5-methyl-1-imidazolyl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide::N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide::N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanamide::N-(3-chlorophenyl)-2-[[2-[2-(5-methylimidazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide::SMR000206733::cid_3265247

SMILES: Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1

InChI Key: InChIKey=WGWKZRBUEGAIQL-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 = 55571   
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
LARGE


(Homo sapiens (Human))
BDBM55571
PNG
(MLS000583547 | N-(3-chlorophenyl)-2-({2-[2-(5-meth...)
Show SMILES Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1
Show InChI InChI=1S/C23H20ClN7OS/c1-15-12-25-14-30(15)10-9-20-28-22-18-7-2-3-8-19(18)27-23(31(22)29-20)33-13-21(32)26-17-6-4-5-16(24)11-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,32)
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a>8.00E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VT1QQ4
More data for this
Ligand-Target Pair
neutrophil cytosolic factor 1


(Homo sapiens (Human))
BDBM55571
PNG
(MLS000583547 | N-(3-chlorophenyl)-2-({2-[2-(5-meth...)
Show SMILES Cc1cncn1CCc1nc2c3ccccc3nc(SCC(=O)Nc3cccc(Cl)c3)n2n1
Show InChI InChI=1S/C23H20ClN7OS/c1-15-12-25-14-30(15)10-9-20-28-22-18-7-2-3-8-19(18)27-23(31(22)29-20)33-13-21(32)26-17-6-4-5-16(24)11-17/h2-8,11-12,14H,9-10,13H2,1H3,(H,26,32)
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

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