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BDBM50125838 CHEMBL416905::Cyclopent-2-ene-1,2-dicarboxylic acid 1-(4-carbamimidoyl-benzylamide) 2-(ethyl-phenyl-amide)

SMILES: CCN(C(=O)C1=CCCC1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1

InChI Key: InChIKey=KKIJXZYEIUZUKF-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50125838   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Thrombin and coagulation factor X


(Homo sapiens (Human))
BDBM50125838
PNG
(CHEMBL416905 | Cyclopent-2-ene-1,2-dicarboxylic ac...)
Show SMILES CCN(C(=O)C1=CCCC1C(=O)NCc1ccc(cc1)C(N)=N)c1ccccc1
Show InChI InChI=1S/C23H26N4O2/c1-2-27(18-7-4-3-5-8-18)23(29)20-10-6-9-19(20)22(28)26-15-16-11-13-17(14-12-16)21(24)25/h3-5,7-8,10-14,19H,2,6,9,15H2,1H3,(H3,24,25)(H,26,28)
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Similars

Article
PubMed
n/an/a 970n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration of compound against human thrombin


J Med Chem 46: 1165-79 (2003)


Article DOI: 10.1021/jm021065a
BindingDB Entry DOI: 10.7270/Q2NG4RCW
More data for this
Ligand-Target Pair