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BDBM50107465 (S)-1-((R)-3-Phenyl-2-trifluoromethanesulfonylamino-propionyl)-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL341641

SMILES: NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)C(F)(F)F

InChI Key: InChIKey=BKQXDZBHWSPZNX-CVEARBPZSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107465   
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
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50107465
PNG
((S)-1-((R)-3-Phenyl-2-trifluoromethanesulfonylamin...)
Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)C(F)(F)F
Show InChI InChI=1S/C20H29F3N6O4S/c21-20(22,23)34(32,33)28-15(13-14-7-2-1-3-8-14)18(31)29-12-6-9-16(29)17(30)26-10-4-5-11-27-19(24)25/h1-3,7-8,15-16,28H,4-6,9-13H2,(H,26,30)(H4,24,25,27)/t15-,16+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.10E+5n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against hydrolysis of human alpha thrombin


Bioorg Med Chem Lett 12: 45-9 (2001)


BindingDB Entry DOI: 10.7270/Q2GX4C3P
More data for this
Ligand-Target Pair