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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XI' and Ligand = 'BDBM50153052'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Coagulation factor XI


(Homo sapiens (Human))		BDBM50153052
PNG
(CHEMBL3781981)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)NC(Cc1ccccc1)c1cc(ccn1)-c1ccc(N)cc1 |r,wU:5.8,wD:2.1,(3.74,.92,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;,-1.54,;1.33,-.77,;-2.67,-1.54,;-3.73,-.93,;-2.66,-3.08,;-4,-3.86,;-3.99,-5.4,;-5.33,-6.17,;-5.33,-7.71,;-6.66,-8.48,;-8,-7.71,;-8,-6.17,;-6.66,-5.4,;-5.33,-3.09,;-5.33,-1.55,;-6.67,-.78,;-8,-1.55,;-8,-3.09,;-6.67,-3.86,;-6.67,.76,;-5.33,1.53,;-5.33,3.07,;-6.66,3.84,;-6.66,5.07,;-8,3.07,;-8,1.53,)|
Show InChI InChI=1S/C27H32N4O/c28-18-20-6-8-22(9-7-20)27(32)31-26(16-19-4-2-1-3-5-19)25-17-23(14-15-30-25)21-10-12-24(29)13-11-21/h1-5,10-15,17,20,22,26H,6-9,16,18,28-29H2,(H,31,32)/t20-,22-,26?
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Article
PubMed
 56n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten eq...

Bioorg Med Chem 24: 2257-72 (2016)


Article DOI: 10.1016/j.bmc.2016.03.062
BindingDB Entry DOI: 10.7270/Q2DN46X0
More data for this
Ligand-Target Pair