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BDBM50296282 (R)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)pyrrolidin-3-yl)guanidine::CHEMBL563794

SMILES: Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@@H]1CCN(CC(=O)N2CCCC2)C1=O

InChI Key: InChIKey=MNMRIPXOAVTNOQ-QGZVFWFLSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50296282   
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
Coagulation factor X


(Homo sapiens (Human))
BDBM50296282
PNG
((R)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1...)
Show SMILES Cc1cc2cc(ccc2o1)N=C(NC#N)N[C@@H]1CCN(CC(=O)N2CCCC2)C1=O |r,w:10.11|
Show InChI InChI=1S/C21H24N6O3/c1-14-10-15-11-16(4-5-18(15)30-14)24-21(23-13-22)25-17-6-9-27(20(17)29)12-19(28)26-7-2-3-8-26/h4-5,10-11,17H,2-3,6-9,12H2,1H3,(H2,23,24,25)/t17-/m1/s1
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Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human factor 10a-mediated cleavage of synthetic substrate S-2222


Bioorg Med Chem Lett 19: 4034-41 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.014
BindingDB Entry DOI: 10.7270/Q2TQ61KM
More data for this
Ligand-Target Pair