BindingDB logo
myBDB logout

null

SMILES: O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(c3)C(=O)N1)cc2

InChI Key: InChIKey=RXQCFGGWOOHRGG-BTFLMBNSSA-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 = 210832   
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
Procathepsin L


(Homo sapiens (Human))		BDBM210832
PNG
(US9290467, 2)
Show SMILES O=C(NC1(CC1)C#N)[C@@H]1Cc2ccc(OC\C=C\COc3cccc(c3)C(=O)N1)cc2 |r,t:17|
Show InChI InChI=1S/C24H23N3O4/c25-16-24(10-11-24)27-23(29)21-14-17-6-8-19(9-7-17)30-12-1-2-13-31-20-5-3-4-18(15-20)22(28)26-21/h1-9,15,21H,10-14H2,(H,26,28)(H,27,29)/b2-1+/t21-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 230n/an/an/an/a6.5n/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 wh...

US Patent US9290467 (2016)


BindingDB Entry DOI: 10.7270/Q2H130VZ
More data for this
Ligand-Target Pair