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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 = 'BDBM50272538'   
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))		BDBM50272538
PNG
(2-({(1S,2S)-1-[(S)-1-(4-Carbamimidoyl-benzylcarbam...)
Show SMILES CC[C@H](C)[C@H](NS(=O)(=O)Cc1ccccc1C(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCc1ccc(cc1)C(N)=N |r|
Show InChI InChI=1S/C27H36N6O7S/c1-3-16(2)23(33-41(39,40)15-19-6-4-5-7-20(19)27(37)38)26(36)32-21(12-13-22(28)34)25(35)31-14-17-8-10-18(11-9-17)24(29)30/h4-11,16,21,23,33H,3,12-15H2,1-2H3,(H2,28,34)(H3,29,30)(H,31,35)(H,32,36)(H,37,38)/t16-,21-,23-/m0/s1
PDB

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PC cid
PC sid
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Similars
Article
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Chugai Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human factor 12a

Bioorg Med Chem Lett 18: 4533-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.07.044
BindingDB Entry DOI: 10.7270/Q29G5MN3
More data for this
Ligand-Target Pair