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BDBM50140420 2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [2-fluoro-4-(imino-pyrrolidin-1-yl-methyl)-phenyl]-amide::CHEMBL281186

SMILES: Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O

InChI Key: InChIKey=PSBVYQQZZZJKLO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50140420   
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))
BDBM50140420
PNG
(2-(3-Methanesulfonyl-naphthalen-2-yl)-5-methyl-2H-...)
Show SMILES Cc1cc(C(=O)Nc2ccc(cc2F)C(=N)N2CCCC2)n(n1)-c1cc2ccccc2cc1S(C)(=O)=O
Show InChI InChI=1S/C27H26FN5O3S/c1-17-13-24(27(34)30-22-10-9-20(14-21(22)28)26(29)32-11-5-6-12-32)33(31-17)23-15-18-7-3-4-8-19(18)16-25(23)37(2,35)36/h3-4,7-10,13-16,29H,5-6,11-12H2,1-2H3,(H,30,34)
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Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Millennium Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human coagulation factor X


Bioorg Med Chem Lett 14: 1229-34 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.054
BindingDB Entry DOI: 10.7270/Q2QN6664
More data for this
Ligand-Target Pair