BDBM33609 (5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1-yl)-(4-chlorophenyl)methanone::MLS000115334::SMR000092476::[5-amino-3-(morpholine-4-carbonyl)-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::[5-amino-3-[4-morpholinyl(oxo)methyl]-1,2,4-triazol-1-yl]-(4-chlorophenyl)methanone::cid_3586649

SMILES Nc1nc(nn1C(=O)c1ccc(Cl)cc1)C(=O)N1CCOCC1

InChI Key InChIKey=VCXQPXLAECQIKZ-UHFFFAOYSA-N

Data  5 IC50  2 EC50

  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 7 hits for monomerid = 33609   

TargetProthrombin(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataIC50:  5.12nMpH: 7.5 T: 2°CAssay Description:HTS was performed using 217,350 compounds of the MLSCN library individually plated into 10ul 1536 compound plates at a concentration of 2.5 mM each, ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataIC50:  1.21E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Dr. Scott L. Diamond, University of Pen...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetComplement C1s subcomponent(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataIC50: >5.00E+4nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsyl...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataEC50:  2.34E+4nMAssay Description:Keywords: GFP-RecA intein, protein splicing, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, whi...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCoagulation factor XII(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataIC50:  4.50E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Scott L. Diamond, University of Pennsy...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetProtein RecA(Mycobacterium tuberculosis H37Rv)
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataEC50:  5.76E+4nMAssay Description:Keywords: GFP, refolding, reducing reagent, GFP fluorescence Assay Overview: M. tuberculosis harbors three inteins, which interrupt the DnaB, RecA, a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetCathepsin G(Homo sapiens (Human))
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM33609((5-azanyl-3-morpholin-4-ylcarbonyl-1,2,4-triazol-1...)
Affinity DataIC50:  4.51E+3nMAssay Description:Screening Center: Penn Center for Molecular Discovery Center Affiliation: University of Pennsylvania Network: Molecular Library Screening Center Netw...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay