null

SMILES CCOC(=O)N[C@@H](CCCCN)C(=O)c1noc(Cc2ccc(cc2)C(=O)NC2Cc3ccccc3C2)n1

InChI Key InChIKey=PWHBUXLKTXHYAP-QHCPKHFHSA-N

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

  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 = 14312   

TargetDimer of Tryptase beta-2(Homo sapiens (Human))
Celera

Curated by ChEMBL
LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi:  2.80nMAssay Description:Inhibition of human beta tryptaseMore data for this Ligand-Target Pair
TargetTryptase beta-2(Homo sapiens (Human))
Celera

LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi:  3nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
TargetSerine protease 1(Bos taurus (bovine))
Celera

LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi:  170nMAssay Description:Each enzyme was assayed with a set of different concentrations of each inhibitor. After addition of the appropriate substrate, the rate of hydrolysis...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2W09450PubMed
TargetProthrombin(Homo sapiens (Human))
Celera

Curated by ChEMBL
LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi:  6.00E+4nMAssay Description:Inhibition of thrombinMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20864ZVPubMed
TargetCoagulation factor X(Homo sapiens (Human))
Celera

Curated by ChEMBL
LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+5nMAssay Description:Inhibition of F10aMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20864ZVPubMed
TargetCoagulation factor VII(Homo sapiens (Human))
Celera

Curated by ChEMBL
LigandPNGBDBM14312(CHEMBL214368 | CRA23 | ethyl N-[(2S)-6-amino-1-(5-...)copy SMILEScopy InChI
Affinity DataKi: >1.50E+5nMAssay Description:Inhibition of F7aMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q20864ZVPubMed