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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Coagulation factor XII' and Ligand = 'BDBM476433'   
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))
BDBM476433
PNG
(1-chloronaphthalen-2-yl (3S)-3-{[4- (aminomethyl)-...)
Show SMILES COc1cc(CNC(=O)[C@@H]2CN(CCN2C(=O)[C@H](N)CCCCN(C)C)C(=O)Oc2ccc3ccccc3c2Cl)ccc1CN |r|
Show InChI InChI=1S/C33H43ClN6O5/c1-38(2)15-7-6-10-26(36)32(42)40-17-16-39(33(43)45-28-14-13-23-8-4-5-9-25(23)30(28)34)21-27(40)31(41)37-20-22-11-12-24(19-35)29(18-22)44-3/h4-5,8-9,11-14,18,26-27H,6-7,10,15-17,19-21,35-36H2,1-3H3,(H,37,41)/t26-,27+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.70n/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