BindingDB logo
myBDB logout

BDBM50237016 CHEMBL4091604

SMILES: Fc1cnc(nc1N(CCc1cccc(c1)C#N)Cc1ccc2OCOc2c1)C#N

InChI Key: InChIKey=ZJNOFVWBFPLUNA-UHFFFAOYSA-N

Data: 1 KI

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 = 50237016   
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))		BDBM50237016
PNG
(CHEMBL4091604)
Show SMILES Fc1cnc(nc1N(CCc1cccc(c1)C#N)Cc1ccc2OCOc2c1)C#N
Show InChI InChI=1S/C22H16FN5O2/c23-18-12-26-21(11-25)27-22(18)28(7-6-15-2-1-3-16(8-15)10-24)13-17-4-5-19-20(9-17)30-14-29-19/h1-5,8-9,12H,6-7,13-14H2
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
 304n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development (pRED)

Curated by ChEMBL


Assay Description
Inhibition of human Cathepsin L by fluorescence assay based Cheng-Prusoff equation analysis

J Med Chem 60: 2485-2497 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01881
BindingDB Entry DOI: 10.7270/Q2PV6NN3
More data for this
Ligand-Target Pair