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BDBM50107462 (S)-1-[(2S,3S)-3-Hydroxy-2-(naphthalene-2-sulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL145398

SMILES: CC(O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N

InChI Key: InChIKey=SRPVTEVXPLENHB-ZMAUEPLISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107462   
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))
BDBM50107462
PNG
((S)-1-[(2S,3S)-3-Hydroxy-2-(naphthalene-2-sulfonyl...)
Show SMILES CC(O)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C24H34N6O5S/c1-16(31)21(29-36(34,35)19-11-10-17-7-2-3-8-18(17)15-19)23(33)30-14-6-9-20(30)22(32)27-12-4-5-13-28-24(25)26/h2-3,7-8,10-11,15-16,20-21,29,31H,4-6,9,12-14H2,1H3,(H,27,32)(H4,25,26,28)/t16?,20-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.00E+3n/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