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SMILES: COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F

InChI Key: InChIKey=MXBHOXKYCIJWHT-DTXPUJKBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 499266   
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
Serine protease HTRA1


(Homo sapiens (Human))		BDBM499266
PNG
(US11014963, Example 166)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)OC(C)(C)C)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F
Show InChI InChI=1S/C38H42ClF5N4O7/c1-21(2)29(31(49)38(42,43)44)47-33(51)30(24-14-16-27(54-6)17-15-24)48-32(50)28(46-34(52)37(40,41)25-8-7-9-26(39)19-25)18-22-10-12-23(13-11-22)20-45-35(53)55-36(3,4)5/h7-17,19,21,28-30H,18,20H2,1-6H3,(H,45,53)(H,46,52)(H,47,51)(H,48,50)/t28-,29-,30-/m0/s1
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
Enzyme activity is measured by observing the increase in fluorescence intensity caused by cleavage of a peptide substrate containing a fluorophore, w...

US Patent US11014963 (2021)


BindingDB Entry DOI: 10.7270/Q22R3VSM
More data for this
Ligand-Target Pair