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SMILES: OC1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl

InChI Key: InChIKey=FGYIMJYGPJYJGY-HNNXBMFYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443863   
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))		BDBM50443863
PNG
(CHEMBL3091513)
Show SMILES OC1CCN(CC1)C(=O)[C@H](CNC(=O)c1ccc(Cl)s1)NS(=O)(=O)c1cccc(N2CCOCC2=O)c1Cl |r|
Show InChI InChI=1S/C23H26Cl2N4O7S2/c24-19-5-4-17(37-19)22(32)26-12-15(23(33)28-8-6-14(30)7-9-28)27-38(34,35)18-3-1-2-16(21(18)25)29-10-11-36-13-20(29)31/h1-5,14-15,27,30H,6-13H2,(H,26,32)/t15-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sanofi-Aventis R&D

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 10a using S-2765 as substrate measured up to 20 mins by chromogenic assay

J Med Chem 56: 9441-56 (2014)


Article DOI: 10.1021/jm4005835
BindingDB Entry DOI: 10.7270/Q20K2B0C
More data for this
Ligand-Target Pair