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BDBM50287788 (2S,4R)-1-Acetyl-4-cyclohexylmethoxy-pyrrolidine-2-carboxylic acid [(S)-1-(2-chloro-acetyl)-4-guanidino-butyl]-amide::CHEMBL72224

SMILES: CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCC1CCCCC1

InChI Key: InChIKey=JCPADVDSWPLGIJ-SQNIBIBYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50287788   
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))
BDBM50287788
PNG
((2S,4R)-1-Acetyl-4-cyclohexylmethoxy-pyrrolidine-2...)
Show SMILES CC(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl)OCC1CCCCC1
Show InChI InChI=1S/C21H36ClN5O4/c1-14(28)27-12-16(31-13-15-6-3-2-4-7-15)10-18(27)20(30)26-17(19(29)11-22)8-5-9-25-21(23)24/h15-18H,2-13H2,1H3,(H,26,30)(H4,23,24,25)/t16-,17+,18+/m1/s1
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Similars

Article
n/an/a 4.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of thrombin


Bioorg Med Chem Lett 6: 2225-2230 (1996)


Article DOI: 10.1016/0960-894X(96)00404-0
BindingDB Entry DOI: 10.7270/Q2W95963
More data for this
Ligand-Target Pair