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SMILES: OC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=PUUZOFRTIONTAQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 419911   
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 XI


(Homo sapiens (Human))		BDBM419911
PNG
(US10472344, Example 5)
Show SMILES OC(=O)c1ccc(cc1)C(=O)NC(Cc1ccccc1)c1ccc(c[n+]1[O-])-c1cc(Cl)ccc1-n1cnnn1
Show InChI InChI=1S/C28H21ClN6O4/c29-22-11-13-25(34-17-30-32-33-34)23(15-22)21-10-12-26(35(39)16-21)24(14-18-4-2-1-3-5-18)31-27(36)19-6-8-20(9-7-19)28(37)38/h1-13,15-17,24H,14H2,(H,31,36)(H,37,38)
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US Patent
 83n/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 US10472344 (2019)


BindingDB Entry DOI: 10.7270/Q2Q52S04
More data for this
Ligand-Target Pair