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BDBM50230330 CHEMBL4092164

SMILES: COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=PYJXWJYQZLRARL-SJSJJFNBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230330   
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))		BDBM50230330
PNG
(CHEMBL4092164)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CC(=O)Nc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C27H24ClN9O4/c1-41-27(40)31-18-8-9-19-21(13-18)33-24(38)5-3-2-4-20(26-29-14-22(19)34-26)32-25(39)11-6-16-12-17(28)7-10-23(16)37-15-30-35-36-37/h2-3,6-15,20H,4-5H2,1H3,(H,29,34)(H,31,40)(H,32,39)(H,33,38)/b3-2+,11-6+/t20-/m0/s1
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PubMed
 264n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a using pyroGlu-Pro-Arg-pNA as substrate after 10 to 120 mins at 37 degC by spectrophotometric method

J Med Chem 60: 1060-1075 (2017)


BindingDB Entry DOI: 10.7270/Q25D8V31
More data for this
Ligand-Target Pair