BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM476372'   
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 XII


(Homo sapiens (Human))		BDBM476372
PNG
(US10875851, Example 28 | naphthalen-1-yl (3S)-3-{[...)
Show SMILES COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC2CCCCC2)NC2CCC3(CCN(Cc4ccccc4)C3)CC2)C(=O)Oc2cccc3ccccc23)ccc1CN |r,wU:9.8,wD:17.26,(4,7.05,;5.33,6.28,;5.33,4.74,;4,3.97,;4,2.43,;2.67,1.66,;1.33,2.43,;,1.66,;,.12,;-1.33,2.43,;-1.33,3.97,;-2.67,4.74,;-4,3.97,;-4,2.43,;-2.67,1.66,;-2.67,.12,;-1.33,-.65,;-4,-.65,;-5.33,.12,;-6.67,-.65,;-8,.12,;-9.34,-.65,;-9.34,-2.19,;-8,-2.96,;-6.67,-2.19,;-4,-2.19,;-2.67,-2.96,;-2.67,-4.5,;-1.33,-5.27,;,-4.5,;1.46,-4.02,;2.37,-5.27,;1.46,-6.52,;1.86,-8,;.77,-9.09,;-.71,-8.69,;-1.8,-9.78,;-1.4,-11.27,;.08,-11.67,;1.17,-10.58,;,-6.04,;,-2.96,;-1.33,-2.19,;-2.67,6.28,;-1.33,7.05,;-4,7.05,;-4,8.59,;-2.67,9.36,;-2.67,10.9,;-4,11.67,;-5.33,10.9,;-6.67,11.67,;-8,10.9,;-8,9.36,;-6.67,8.59,;-5.33,9.36,;5.33,1.66,;6.67,2.43,;6.67,3.97,;8,4.74,;9.34,3.97,)|
Show InChI InChI=1S/C50H64N6O5/c1-60-46-30-38(19-20-40(46)31-51)32-52-47(57)44-34-55(49(59)61-45-18-10-16-39-15-8-9-17-42(39)45)27-28-56(44)48(58)43(29-36-11-4-2-5-12-36)53-41-21-23-50(24-22-41)25-26-54(35-50)33-37-13-6-3-7-14-37/h3,6-10,13-20,30,36,41,43-44,53H,2,4-5,11-12,21-29,31-35,51H2,1H3,(H,52,57)/t41?,43-,44+,50?/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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)


BindingDB Entry DOI: 10.7270/Q2JD50W8
More data for this
Ligand-Target Pair