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BDBM50443854 CHEMBL3091518

SMILES: [#6]-c1c(cccc1S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]-c1ccc(-[#7])cn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/F)F)-c1ccccn1

InChI Key: InChIKey=ZRRJMTSVAONQLU-VWLOTQADSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50443854   
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))		BDBM50443854
PNG
(CHEMBL3091518)
Show SMILES [#6]-c1c(cccc1S(=O)(=O)[#7]-[#6@@H](-[#6]-[#6]-[#6]-c1ccc(-[#7])cn1)-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6](/F)F)-c1ccccn1 |r|
Show InChI InChI=1S/C28H31F2N5O3S/c1-19-23(24-8-2-3-15-32-24)7-5-10-26(19)39(37,38)34-25(9-4-6-22-12-11-21(31)18-33-22)28(36)35-16-13-20(14-17-35)27(29)30/h2-3,5,7-8,10-12,15,18,25,34H,4,6,9,13-14,16-17,31H2,1H3/t25-/m0/s1
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MMDB

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n/an/a 3.50E+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