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BDBM50103216 CHEMBL3393373

SMILES: NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccccc1

InChI Key: InChIKey=OGAXGTPSKDMTRK-JBACZVJFSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50103216   
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))		BDBM50103216
PNG
(CHEMBL3393373)
Show SMILES NC[C@H]1CC[C@@H](CC1)C(=O)N[C@@H](Cc1ccccc1)c1nc(c(Cl)[nH]1)-c1ccccc1 |r,wU:5.8,11.12,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,;-5.47,-1.57,;-6.98,-1.25,;-7.75,-2.58,;-8.98,-2.71,;-6.72,-3.73,;-7.61,.16,;-9.12,.43,;-9.64,1.88,;-8.64,3.06,;-7.13,2.78,;-6.61,1.33,)|
Show InChI InChI=1S/C25H29ClN4O/c26-23-22(19-9-5-2-6-10-19)29-24(30-23)21(15-17-7-3-1-4-8-17)28-25(31)20-13-11-18(16-27)12-14-20/h1-10,18,20-21H,11-16,27H2,(H,28,31)(H,29,30)/t18-,20-,21-/m0/s1
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 12n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of human coagulation factor 11a after 10 to 120 mins

Bioorg Med Chem Lett 25: 925-30 (2015)


BindingDB Entry DOI: 10.7270/Q2CF9RWP
More data for this
Ligand-Target Pair