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SMILES: CC(C)(Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O

InChI Key: InChIKey=DREDWHZESUFRNK-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 455195   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Plasma kallikrein


(Homo sapiens (Human))		BDBM455195
PNG
(US10730874, Compound I-212)
Show SMILES CC(C)(Oc1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1)C(O)=O
Show InChI InChI=1S/C26H24ClFN8O4/c1-26(2,25(38)39)40-20-7-15(14-3-4-14)9-35-10-16(31-23(20)35)11-36-12-19(32-33-36)24(37)29-8-18-22-21(28)17(27)5-6-34(22)13-30-18/h5-7,9-10,12-14H,3-4,8,11H2,1-2H3,(H,29,37)(H,38,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a<1n/an/an/an/a



Shire Human Genetic Therapies, Inc.

US Patent


Assay Description
Example compounds were evaluated for inhibition of the human activated kallikrein enzyme in two formats of an assay employing a fluorogenic peptide s...

US Patent US10730874 (2020)

More data for this
Ligand-Target Pair