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BDBM50525761 CHEMBL4463167

SMILES: COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1cccc(Cl)c1

InChI Key: InChIKey=MMBQDAZDJYRMKG-XBDCORATSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50525761   
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))		BDBM50525761
PNG
(CHEMBL4463167)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCC(=O)Nc2c1)N1CCC(NC1=O)c1cccc(Cl)c1 |r,t:17|
Show InChI InChI=1S/C28H29ClN6O4/c1-39-28(38)31-19-10-11-20-22(15-19)32-25(36)9-4-2-3-8-24(26-30-16-23(20)33-26)35-13-12-21(34-27(35)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,21,24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,38)(H,32,36)(H,34,37)/b3-2+/t21?,24-/m0/s1
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 4.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of activated human coagulation factor 11 using pyroGlu-Pro-Arg-pNA as substrate incubated for 10 to 120 mins by spectrofluorometric method

Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.08.008
More data for this
Ligand-Target Pair