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BDBM50250501 CHEMBL4078562

SMILES: OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1

InChI Key: InChIKey=QOCKYKFKJNIAIR-IINUCZPTSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50250501   
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))		BDBM50250501
PNG
(CHEMBL4078562)
Show SMILES OC(=O)c1ccc(NC(=O)[C@H]2N(CCc3c2cccc3N2CCOCC2)C(=O)\C=C\c2c(F)c(Cl)ccc2-n2cnnn2)cc1 |r|
Show InChI InChI=1S/C31H27ClFN7O5/c32-24-9-10-26(40-18-34-36-37-40)23(28(24)33)8-11-27(41)39-13-12-21-22(2-1-3-25(21)38-14-16-45-17-15-38)29(39)30(42)35-20-6-4-19(5-7-20)31(43)44/h1-11,18,29H,12-17H2,(H,35,42)(H,43,44)/b11-8+/t29-/m0/s1
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 0.380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


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

J Med Chem 60: 9703-9723 (2017)


Article DOI: 10.1021/acs.jmedchem.7b01171
BindingDB Entry DOI: 10.7270/Q2K64MHN
More data for this
Ligand-Target Pair