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BDBM50536833 CHEMBL4546760

SMILES: FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12

InChI Key: InChIKey=COZDKQNJDUPHIX-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 50536833   
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
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM50536833
PNG
(CHEMBL4546760)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-11-20(25)18-9-5-4-8-17(18)19/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) using His-GATE-16-GST as substrate preincubated for 30 mins followed by substrate addition measured after 30 min...


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
More data for this
Ligand-Target Pair
cysteine protease ATG4B isoform a


(Homo sapiens (Human))
BDBM50536833
PNG
(CHEMBL4546760)
Show SMILES FCC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(F)c2ccccc12 |r|
Show InChI InChI=1S/C23H20F2N2O3/c24-13-16(28)14-26-23(30)21(12-15-6-2-1-3-7-15)27-22(29)19-10-11-20(25)18-9-5-4-8-17(18)19/h1-11,21H,12-14H2,(H,26,30)(H,27,29)/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/an/an/an/an/an/a



Roche Pharma Research and Early Development

Curated by ChEMBL


Assay Description
Inhibition of ATG4B (unknown origin) expressed in HEK293T cells coexpressing HTRA4 and Actin-LC3B-dNGLuc after 24 hrs by luciferase release assay


ACS Med Chem Lett 7: 802-6 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00208
More data for this
Ligand-Target Pair