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SMILES: C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)cnc3s2)C1=O)C(=O)N1CCOCC1

InChI Key: InChIKey=KBXRTVCEMYXBCG-FZMZJTMJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17648   
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))		BDBM17648
PNG
(5-chloro-N-[(3S)-1-[(2S)-1-(morpholin-4-yl)-1-oxop...)
Show SMILES C[C@H](N1CC[C@H](NS(=O)(=O)c2cc3cc(Cl)cnc3s2)C1=O)C(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C18H21ClN4O5S2/c1-11(17(24)22-4-6-28-7-5-22)23-3-2-14(18(23)25)21-30(26,27)15-9-12-8-13(19)10-20-16(12)29-15/h8-11,14,21H,2-7H2,1H3/t11-,14-/m0/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
 2.90E+3 -7.47n/an/an/an/an/a7.422



GSK



Assay Description
The ability of test compounds to inhibit human fXa in vitro was determined in a fluorescence assay using rhodamime 110, bis-(Boc-L-glycylglycyl-L-arg...

J Med Chem 50: 1546-57 (2007)


Article DOI: 10.1021/jm060870c
BindingDB Entry DOI: 10.7270/Q2F18X06
More data for this
Ligand-Target Pair