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BDBM50230336 CHEMBL4093309

SMILES: COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1

InChI Key: InChIKey=RGVIZVAQWOVXPM-IENVXTDSSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50230336   
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))		BDBM50230336
PNG
(CHEMBL4093309)
Show SMILES COC(=O)Nc1ccc2-c3c[nH]c(n3)[C@H](C\C=C\CCCOc2c1)NC(=O)\C=C\c1cc(Cl)ccc1-n1cnnn1 |r,t:17|
Show InChI InChI=1S/C28H27ClN8O4/c1-40-28(39)32-20-9-10-21-23-16-30-27(34-23)22(6-4-2-3-5-13-41-25(21)15-20)33-26(38)12-7-18-14-19(29)8-11-24(18)37-17-31-35-36-37/h2,4,7-12,14-17,22H,3,5-6,13H2,1H3,(H,30,34)(H,32,39)(H,33,38)/b4-2+,12-7+/t22-/m0/s1
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PubMed
 3.92E+3n/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