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BDBM50269205 CHEMBL4105168

SMILES: COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F

InChI Key: InChIKey=SESOBGYEDLMWRH-WHLIDYPQSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50269205   
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))		BDBM50269205
PNG
(CHEMBL4105168)
Show SMILES COC(=O)Nc1ccc2-c3nc([nH]c3Cl)[C@H](C\C=C\CCC(=O)Nc2c1)NC(=O)c1c(F)cc(C)cc1F |r,t:18|
Show InChI InChI=1S/C26H24ClF2N5O4/c1-13-10-16(28)21(17(29)11-13)25(36)32-18-6-4-3-5-7-20(35)31-19-12-14(30-26(37)38-2)8-9-15(19)22-23(27)34-24(18)33-22/h3-4,8-12,18H,5-7H2,1-2H3,(H,30,37)(H,31,35)(H,32,36)(H,33,34)/b4-3+/t18-/m0/s1
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Article
PubMed
 16n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human Factor XIa using S-2366 as chromogenic substrate after 60 mins by Lineweaver-Burk plot analysis

Bioorg Med Chem Lett 27: 3833-3839 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.058
BindingDB Entry DOI: 10.7270/Q2GT5QPS
More data for this
Ligand-Target Pair