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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 = 'BDBM476406'   
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))		BDBM476406
PNG
(2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2...)
Show SMILES Clc1ccccc1OC(=O)N1CCN([C@@H](C1)C(=O)NCc1cccs1)C(=O)[C@H](NC1CCCCC1)C1CCN(CC1)S(=O)(=O)C1CC1 |r|
Show InChI InChI=1S/C33H44ClN5O6S2/c34-27-10-4-5-11-29(27)45-33(42)37-18-19-39(28(22-37)31(40)35-21-25-9-6-20-46-25)32(41)30(36-24-7-2-1-3-8-24)23-14-16-38(17-15-23)47(43,44)26-12-13-26/h4-6,9-11,20,23-24,26,28,30,36H,1-3,7-8,12-19,21-22H2,(H,35,40)/t28-,30+/m0/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