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BDBM286001 US10081623, Example 14

SMILES: COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1

InChI Key: InChIKey=INAKQOFTONZECB-IIBYNOLFSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 286001   
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))		BDBM286001
PNG
(US10081623, Example 14)
Show SMILES COC(=O)Nc1ccc2c(NC(=O)C[C@H](C)CCC[C@@H](NC2=O)C(=O)NCCc2cc(Cl)ccc2-n2cnnn2)c1 |r|
Show InChI InChI=1S/C27H31ClN8O5/c1-16-4-3-5-21(26(39)29-11-10-17-13-18(28)6-9-23(17)36-15-30-34-35-36)33-25(38)20-8-7-19(31-27(40)41-2)14-22(20)32-24(37)12-16/h6-9,13-16,21H,3-5,10-12H2,1-2H3,(H,29,39)(H,31,40)(H,32,37)(H,33,38)/t16-,21-/m1/s1
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US Patent
 336n/an/an/an/an/an/a7.4n/a



Bristol-Myers Squibb Company

US Patent


Assay Description
The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or throm...

US Patent US10081623 (2018)


BindingDB Entry DOI: 10.7270/Q24B33CM
More data for this
Ligand-Target Pair