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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Plasma kallikrein' and Ligand = 'BDBM303804'   
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
Plasma kallikrein


(Homo sapiens (Human))		BDBM303804
PNG
(5-{[2-(11′-Chloro-2′,5′-dioxo-2&...)
Show SMILES COCCC(C(=O)Nc1ccc(s1)C(O)=O)n1cc2c(cc1=O)-c1cc(Cl)ccc1CC1(CC1)NC2=O |$;;;;;;;HN;;;;;;;;;;;;;;;;;;;;;;;;;;;HN;;$|
Show InChI InChI=1S/C26H24ClN3O6S/c1-36-9-6-19(24(33)28-21-5-4-20(37-21)25(34)35)30-13-18-17(11-22(30)31)16-10-15(27)3-2-14(16)12-26(7-8-26)29-23(18)32/h2-5,10-11,13,19H,6-9,12H2,1H3,(H,28,33)(H,29,32)(H,34,35)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 340n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
o determine the plasma kallikrein inhibition of the substances according to the invention, a biochemical test system is used which utilizes the react...

US Patent US10138236 (2018)


BindingDB Entry DOI: 10.7270/Q2445PH4
More data for this
Ligand-Target Pair