BindingDB logo
myBDB logout

BDBM210866 US9290467, 36

SMILES: Clc1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1

InChI Key: InChIKey=IJYNGHYQWAZCAH-IBGZPJMESA-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 = 210866   
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))		BDBM210866
PNG
(US9290467, 36)
Show SMILES Clc1ccc2c(OCCCCOc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r|
Show InChI InChI=1S/C24H23Cl2N3O4/c25-16-4-5-17-21(13-16)33-10-2-1-9-32-20-6-3-15(11-18(20)26)12-19(28-22(17)30)23(31)29-24(14-27)7-8-24/h3-6,11,13,19H,1-2,7-10,12H2,(H,28,30)(H,29,31)/t19-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 50n/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