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BDBM50144088 4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methyl-4,5-dihydro-1H-imidazol-2-yl)-benzoyl]-piperazine-2-carboxylic acid methyl ester::CHEMBL62870

SMILES: COC(=O)C1CN(CCN1C(=O)c1ccc(cc1)C1=NCCN1C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1

InChI Key: InChIKey=RRGLKZFQILPGBH-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50144088   
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))
BDBM50144088
PNG
(4-(5-Chloro-1H-indole-2-sulfonyl)-1-[4-(1-methyl-4...)
Show SMILES COC(=O)C1CN(CCN1C(=O)c1ccc(cc1)C1=NCCN1C)S(=O)(=O)c1cc2cc(Cl)ccc2[nH]1
Show InChI InChI=1S/C25H26ClN5O5S/c1-29-10-9-27-23(29)16-3-5-17(6-4-16)24(32)31-12-11-30(15-21(31)25(33)36-2)37(34,35)22-14-18-13-19(26)7-8-20(18)28-22/h3-8,13-14,21,28H,9-12,15H2,1-2H3
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Article
PubMed
n/an/a 27n/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