US11014963, Example 216

SMILES: COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)c2ccccn2)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=HKAWLGDJDPBRRQ-CPCREDONSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 499311   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Serine protease HTRA1 (Homo sapiens (Human))	BDBM499311 (US11014963, Example 216) Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1ccc(CNC(=O)c2ccccn2)cc1)NC(=O)C(F)(F)c1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r| Show InChI InChI=1S/C39H37ClF5N5O6/c1-22(2)31(33(51)39(43,44)45)49-36(54)32(25-14-16-28(56-3)17-15-25)50-35(53)30(48-37(55)38(41,42)26-7-6-8-27(40)20-26)19-23-10-12-24(13-11-23)21-47-34(52)29-9-4-5-18-46-29/h4-18,20,22,30-32H,19,21H2,1-3H3,(H,47,52)(H,48,55)(H,49,54)(H,50,53)/t30-,31-,32-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/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)
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