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BDBM50107470 (S)-1-[(S)-4-Carbamoyl-2-(naphthalene-2-sulfonylamino)-butyryl]-pyrrolidine-2-carboxylic acid (4-guanidino-butyl)-amide::CHEMBL343415

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

InChI Key: InChIKey=DMDYTFDRSYGVPY-SFTDATJTSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107470   
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))
BDBM50107470
PNG
((S)-1-[(S)-4-Carbamoyl-2-(naphthalene-2-sulfonylam...)
Show SMILES NC(=O)CC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N
Show InChI InChI=1S/C25H35N7O5S/c26-22(33)12-11-20(31-38(36,37)19-10-9-17-6-1-2-7-18(17)16-19)24(35)32-15-5-8-21(32)23(34)29-13-3-4-14-30-25(27)28/h1-2,6-7,9-10,16,20-21,31H,3-5,8,11-15H2,(H2,26,33)(H,29,34)(H4,27,28,30)/t20-,21-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90E+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