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BDBM50107474 (S)-4-[(S)-2-(4-Guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-3-(naphthalene-2-sulfonylamino)-4-oxo-butyric acid::CHEMBL357650

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

InChI Key: InChIKey=XPQGVDMHUVSLAN-PMACEKPBSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107474   
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))
BDBM50107474
PNG
((S)-4-[(S)-2-(4-Guanidino-butylcarbamoyl)-pyrrolid...)
Show SMILES NC(=N)NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C24H32N6O6S/c25-24(26)28-12-4-3-11-27-22(33)20-8-5-13-30(20)23(34)19(15-21(31)32)29-37(35,36)18-10-9-16-6-1-2-7-17(16)14-18/h1-2,6-7,9-10,14,19-20,29H,3-5,8,11-13,15H2,(H,27,33)(H,31,32)(H4,25,26,28)/t19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 5.20E+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