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SMILES: COc1ccc(cc1)[C@H](NC(=O)[C@@H](Cc1cccc(F)c1)Oc1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F

InChI Key: InChIKey=DVHNNTXCWWOHEV-PKTNWEFCSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 475926   
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))		BDBM475926
PNG
((4S)-4-[[(2S)-2-[[(2R)-2- (3-cyanophenoxy)-3-(3- f...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@@H](Cc1cccc(F)c1)Oc1cccc(c1)C#N)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C34H32F6N4O6/c1-19(2)27(29(45)34(39,40)32(48)42-18-33(36,37)38)43-31(47)28(22-10-12-24(49-3)13-11-22)44-30(46)26(16-20-6-4-8-23(35)14-20)50-25-9-5-7-21(15-25)17-41/h4-15,19,26-28H,16,18H2,1-3H3,(H,42,48)(H,43,47)(H,44,46)/t26-,27+,28+/m1/s1
PDB
MMDB

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PC cid
PC sid
UniChem
US Patent
n/an/a 0.686n/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 US10865182 (2020)


BindingDB Entry DOI: 10.7270/Q2MC9330
More data for this
Ligand-Target Pair