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SMILES: COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ncc(Cl)cc21

InChI Key: InChIKey=UUSWJHWWRAGDRR-DWACAAAGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 289771   
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))		BDBM289771
PNG
(US10093683, Example 1b)
Show SMILES COC(=O)Nc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@]2(C1)OC(=O)Nc1ncc(Cl)cc21 |r|
Show InChI InChI=1S/C28H26ClN5O6/c1-39-26(37)31-20-9-7-18(8-10-20)24(35)32-22(13-17-5-3-2-4-6-17)25(36)34-12-11-28(16-34)21-14-19(29)15-30-23(21)33-27(38)40-28/h2-10,14-15,22H,11-13,16H2,1H3,(H,31,37)(H,32,35)(H,30,33,38)/t22-,28-/m0/s1
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MMDB

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US Patent
 246 -9.01n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIa can be determined using a relevant purified serine...

US Patent US10093683 (2018)


BindingDB Entry DOI: 10.7270/Q2RR2197
More data for this
Ligand-Target Pair