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BDBM51400 2-(2-bromanyl-4-methyl-phenoxy)-N-(1H-1,2,4-triazol-5-yl)ethanamide::2-(2-bromo-4-methyl-phenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide::2-(2-bromo-4-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide::MLS-0315819.0001::cid_719106

SMILES: Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1

InChI Key: InChIKey=BCIQRCHVOVWEKA-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 51400   
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
Alkaline phosphatase, tissue-nonspecific isozyme


(Homo sapiens)
BDBM51400
PNG
(2-(2-bromanyl-4-methyl-phenoxy)-N-(1H-1,2,4-triazo...)
Show SMILES Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-7-2-3-9(8(12)4-7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

n/an/an/an/a 4.93E+3n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q26Q1VPD
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM51400
PNG
(2-(2-bromanyl-4-methyl-phenoxy)-N-(1H-1,2,4-triazo...)
Show SMILES Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-7-2-3-9(8(12)4-7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

n/an/a 7.45E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2930RT9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM51400
PNG
(2-(2-bromanyl-4-methyl-phenoxy)-N-(1H-1,2,4-triazo...)
Show SMILES Cc1ccc(OCC(=O)Nc2nnc[nH]2)c(Br)c1
Show InChI InChI=1S/C11H11BrN4O2/c1-7-2-3-9(8(12)4-7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

n/an/a 6.95E+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: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q2DV1HJQ
More data for this
Ligand-Target Pair