null

SMILES Brc1cccc(Nc2c(cnc3ccc(NC(=O)C#CCN4CCSCC4)cc23)C#N)c1

InChI Key InChIKey=YSDJJHLEMPHMFB-UHFFFAOYSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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 6 hits for monomerid = 50122577   

TargetEpidermal growth factor receptor(Homo sapiens (Human))
Jazan University

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 550nMAssay Description:Inhibition of epidermal growth factor receptor kinase (unknown origin) using [33P]-ATP after 20 to 30 mins by radiometric assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2JQ12TSPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Jazan University

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 550nMAssay Description:Concentration required to inhibit autophosphorylation of cytoplasmic domain of epidermal growth factor receptor (EGFR)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q21Z4505PubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Jazan University

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 5.50E+5nMAssay Description:Inhibition of EGFR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NZ8BJH
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Jazan University

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 550nMAssay Description:Inhibition of autophosphorylation of cytoplasmic domain of epidermal growth factor receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6M3HPubMed
TargetEpidermal growth factor receptor(Homo sapiens (Human))
Jazan University

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 550nMAssay Description:Inhibition autophosphorylation of EGFR in human DiFi cells after 2 hrs by ELISAMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DJ5GXNPubMed
TargetReceptor tyrosine-protein kinase erbB-2(Homo sapiens (Human))
Wyeth Research

Curated by ChEMBL
LigandPNGBDBM50122577(4-Thiomorpholin-4-yl-but-2-ynoic acid [4-(3-bromo-...)copy SMILEScopy InChI
Affinity DataIC50: 1.04E+3nMAssay Description:Concentration required to inhibit autophosphorylation of cytoplasmic domain of human epidermal growth factor receptor-2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2PV6M3HPubMed