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BDBM50087829 2-(Piperidine-1-carbonyl)-cyclopent-2-enecarboxylic acid 4-carbamimidoyl-benzylamide::CHEMBL44883

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)N2CCCCC2)cc1

InChI Key: InChIKey=RZIPCVBTKMXUKV-MRXNPFEDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50087829   
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))
BDBM50087829
PNG
(2-(Piperidine-1-carbonyl)-cyclopent-2-enecarboxyli...)
Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2CCC=C2C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C20H26N4O2/c21-18(22)15-9-7-14(8-10-15)13-23-19(25)16-5-4-6-17(16)20(26)24-11-2-1-3-12-24/h6-10,16H,1-5,11-13H2,(H3,21,22)(H,23,25)/t16-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.03E+3n/an/an/an/an/an/a



Link£ping University

Curated by ChEMBL


Assay Description
In vitro for the inhibition of thrombin


J Med Chem 43: 1705-13 (2000)


Article DOI: 10.1021/jm990557t
BindingDB Entry DOI: 10.7270/Q22808BS
More data for this
Ligand-Target Pair