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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM357056'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))		BDBM357056
PNG
(5-(5-chloro-2-(4-(difluoromethyl)-1H-1,2,3-triazol...)
Show SMILES COC(=O)Nc1ccc-2c(NC(=O)CCCCC(c3cccc-2c3)c2ccc(c[n+]2[O-])-c2cc(Cl)ccc2-n2cc(nn2)C(F)F)c1
Show InChI InChI=1S/C34H29ClF2N6O4/c1-47-34(45)38-24-11-12-25-20-5-4-6-21(15-20)26(7-2-3-8-32(44)39-28(25)17-24)31-13-9-22(18-43(31)46)27-16-23(35)10-14-30(27)42-19-29(33(36)37)40-41-42/h4-6,9-19,26,33H,2-3,7-8H2,1H3,(H,38,45)(H,39,44)
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US Patent
 0.260n/an/an/an/an/an/an/an/a



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 US10214512 (2019)


BindingDB Entry DOI: 10.7270/Q2668GGN
More data for this
Ligand-Target Pair