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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 = 'BDBM476405'   
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))		BDBM476405
PNG
(2-chlorophenyl (3S)-4-{(2R)-2- (cyclohexylamino)-2...)
Show SMILES CCS(=O)(=O)N1CCC(CC1)[C@@H](NC1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cccs1)C(=O)Oc1ccccc1Cl |r|
Show InChI InChI=1S/C32H44ClN5O6S2/c1-2-46(42,43)37-16-14-23(15-17-37)29(35-24-9-4-3-5-10-24)31(40)38-19-18-36(32(41)44-28-13-7-6-12-26(28)33)22-27(38)30(39)34-21-25-11-8-20-45-25/h6-8,11-13,20,23-24,27,29,35H,2-5,9-10,14-19,21-22H2,1H3,(H,34,39)/t27-,29+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 4.20n/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