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SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](Oc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F

InChI Key: InChIKey=WPFMKRFBVRQSJP-URORMMCBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 415683   
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))		BDBM415683
PNG
(US10428108, Example 92)
Show SMILES CC(C)[C@H](NC(=O)[C@@H](NC(=O)C[C@H](Oc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)cc1)C(=O)C(F)(F)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C32H28Cl4F5N3O5/c1-16(2)26(28(46)32(40,41)30(48)42-15-31(37,38)39)44-29(47)27(17-3-6-19(33)7-4-17)43-25(45)14-24(18-5-12-22(35)23(36)13-18)49-21-10-8-20(34)9-11-21/h3-13,16,24,26-27H,14-15H2,1-2H3,(H,42,48)(H,43,45)(H,44,47)/t24-,26-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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 US10428108 (2019)


BindingDB Entry DOI: 10.7270/Q2JQ13DT
More data for this
Ligand-Target Pair