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SMILES: OC(=O)c1cnn(c1)-c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1

InChI Key: InChIKey=OOLFMSUVCWWWRI-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 455217   
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))		BDBM455217
PNG
(US10730874, Compound I-230)
Show SMILES OC(=O)c1cnn(c1)-c1cc(cn2cc(Cn3cc(nn3)C(=O)NCc3ncn4ccc(Cl)c(F)c34)nc12)C1CC1
Show InChI InChI=1S/C26H20ClFN10O3/c27-18-3-4-35-13-30-19(23(35)22(18)28)7-29-25(39)20-12-37(34-33-20)11-17-10-36-8-15(14-1-2-14)5-21(24(36)32-17)38-9-16(6-31-38)26(40)41/h3-6,8-10,12-14H,1-2,7,11H2,(H,29,39)(H,40,41)
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)


BindingDB Entry DOI: 10.7270/Q2RN3BXC
More data for this
Ligand-Target Pair