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SMILES: Fc1ccc(C[C@@H](c2ncc([nH]2)-c2cncc(Cl)c2)n2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=KUOVNQBPUXAOPZ-SANMLTNESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 352473   
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 IX


(Homo sapiens (Human))		BDBM352473
PNG
(US9809545, 4Bn)
Show SMILES Fc1ccc(C[C@@H](c2ncc([nH]2)-c2cncc(Cl)c2)n2ccc(cc2=O)-c2cc(Cl)ccc2-n2cnnn2)cc1
Show InChI InChI=1S/C28H19Cl2FN8O/c29-20-3-6-25(39-16-34-36-37-39)23(12-20)18-7-8-38(27(40)11-18)26(9-17-1-4-22(31)5-2-17)28-33-15-24(35-28)19-10-21(30)14-32-13-19/h1-8,10-16,26H,9H2,(H,33,35)/t26-/m0/s1
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US Patent
 18n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 150 mM NaCl, 5 mM CaCl2, and 0.1% PEG 8000 (polyethylene glycol; JT Ba...

US Patent US9809545 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7X4Q
More data for this
Ligand-Target Pair