BindingDB logo
myBDB logout

null

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

InChI Key: InChIKey=YVWPQHNYVPSBTG-MYKRZTLLSA-N

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 = 499222   
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))		BDBM499222
PNG
((2S)-3-(3-Chlorophenyl)-2-[[2-(3-chlorophenyl)acet...)
Show SMILES COc1ccc(cc1)[C@H](NC(=O)[C@H](Cc1cccc(Cl)c1)NC(=O)Cc1cccc(Cl)c1)C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F |r|
Show InChI InChI=1S/C32H32Cl2F3N3O5/c1-18(2)27(29(42)32(35,36)37)39-31(44)28(21-10-12-24(45-3)13-11-21)40-30(43)25(16-19-6-4-8-22(33)14-19)38-26(41)17-20-7-5-9-23(34)15-20/h4-15,18,25,27-28H,16-17H2,1-3H3,(H,38,41)(H,39,44)(H,40,43)/t25-,27-,28-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.695n/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