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BDBM50107464 (R)-5-[(S)-2-(4-Guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-4-(naphthalene-2-sulfonylamino)-5-oxo-pentanoic acid::CHEMBL144992

SMILES: NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(O)=O)NS(=O)(=O)c1ccc2ccccc2c1

InChI Key: InChIKey=PZYOQLZCPIZDBR-RTWAWAEBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107464   
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))
BDBM50107464
PNG
((R)-5-[(S)-2-(4-Guanidino-butylcarbamoyl)-pyrrolid...)
Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCC(O)=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C25H34N6O6S/c26-25(27)29-14-4-3-13-28-23(34)21-8-5-15-31(21)24(35)20(11-12-22(32)33)30-38(36,37)19-10-9-17-6-1-2-7-18(17)16-19/h1-2,6-7,9-10,16,20-21,30H,3-5,8,11-15H2,(H,28,34)(H,32,33)(H4,26,27,29)/t20-,21+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>3.33E+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