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BDBM50144112 2-{4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-benzoyl]-piperazin-2-yl}-1-pyrrolidin-1-yl-ethanone::CHEMBL62279

SMILES: CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCCC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=JNJKQEYKUFZSKV-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144112   
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))
BDBM50144112
PNG
(2-{4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methy...)
Show SMILES CN1CCN=C1c1ccc(cc1)C(=O)N1CCN(CC1CC(=O)N1CCCC1)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C29H33ClN6O4S/c1-33-13-10-31-28(33)20-4-6-21(7-5-20)29(38)36-15-14-35(19-24(36)18-27(37)34-11-2-3-12-34)41(39,40)26-17-22-16-23(30)8-9-25(22)32-26/h4-9,16-17,24,32H,2-3,10-15,18-19H2,1H3
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Millennium Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against Coagulation factor X was determined


Bioorg Med Chem Lett 14: 2073-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.049
BindingDB Entry DOI: 10.7270/Q2P84B98
More data for this
Ligand-Target Pair