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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 = 'BDBM476522'   
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))		BDBM476522
PNG
((2S)-N-{[4-(aminomethyl)thiophen-2- yl]methyl}-1-[...)
Show SMILES CC(C)N[C@H](CCCCN1CCCCC1)C(=O)N1CCN(C[C@H]1C(=O)NCc1cc(CN)cs1)C1=N[C@@H](C)[C@@H](O1)c1ccccc1 |r,t:37|
Show InChI InChI=1S/C35H53N7O3S/c1-25(2)38-30(14-8-11-17-40-15-9-5-10-16-40)34(44)42-19-18-41(35-39-26(3)32(45-35)28-12-6-4-7-13-28)23-31(42)33(43)37-22-29-20-27(21-36)24-46-29/h4,6-7,12-13,20,24-26,30-32,38H,5,8-11,14-19,21-23,36H2,1-3H3,(H,37,43)/t26-,30+,31-,32+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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)


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