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SMILES: COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN

InChI Key: InChIKey=BUVDEKOTUUFCCI-GPOMZPHUSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 476368   
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 XII


(Homo sapiens (Human))		BDBM476368
PNG
(US10875851, Example 24 | naphthalen-1-yl (3S)-3-{[...)
Show SMILES COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCCCC2)C(=O)Oc2cccc3ccccc23)ccc1CN |r|
Show InChI InChI=1S/C40H53N5O5/c1-49-37-24-29(19-20-31(37)25-41)26-42-38(46)35-27-44(40(48)50-36-18-10-14-30-13-8-9-17-33(30)36)21-22-45(35)39(47)34(23-28-11-4-2-5-12-28)43-32-15-6-3-7-16-32/h8-10,13-14,17-20,24,28,32,34-35,43H,2-7,11-12,15-16,21-23,25-27,41H2,1H3,(H,42,46)/t34-,35+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a



MERCK SHARP & DOHME CORP.

US Patent


Assay Description
The effectiveness of a compound of the present invention as an inhibitor of Coagulation Factor XIIa can be determined using a relevant purified serin...

US Patent US10875851 (2020)

More data for this
Ligand-Target Pair