BDBM50505757 CHEMBL4459217

SMILES N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1CO

InChI Key InChIKey=DQPDUJDTFYTAKL-UHFFFAOYSA-N

Data  1 KI

PDB links: 1 PDB ID matches 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 1 hit for monomerid = 50505757   

TargetProthrombin(Human)
Philipps-Universit£T Marburg

Curated by ChEMBL
LigandPNGBDBM50505757(CHEMBL4459217)
Affinity DataKi:  9.20nMAssay Description:Inhibition of thrombin (unknown origin) using Tos-Gly-Pro-Arg-AMCA-TFA as a substrate incubated for 40 secs and measured every 15 secs interval for 2...More data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)