BindingDB logo
myBDB logout

null

SMILES: CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1

InChI Key: InChIKey=GAEREYBMNZIBLC-DEOSSOPVSA-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 2 hits for monomerid = 50304795   
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
Replicase polyprotein 1ab


(2019-nCoV)
BDBM50304795
PNG
((S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)...)
Show SMILES CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3/c1-29(30(20-27)18-22-13-7-3-8-14-22)25(31)24(17-21-11-5-2-6-12-21)28-26(32)33-19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3,(H,28,32)/t24-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 320n/an/an/an/an/an/a


TBA

Assay Description
This is a review article. Please point to the original journal.


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00409
BindingDB Entry DOI: 10.7270/Q2J1069F
More data for this
Ligand-Target Pair
Papain


(Carica papaya)
BDBM50304795
PNG
((S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)...)
Show SMILES CN(N(Cc1ccccc1)C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C26H26N4O3/c1-29(30(20-27)18-22-13-7-3-8-14-22)25(31)24(17-21-11-5-2-6-12-21)28-26(32)33-19-23-15-9-4-10-16-23/h2-16,24H,17-19H2,1H3,(H,28,32)/t24-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



University of Queensland

Curated by ChEMBL


Assay Description
Inhibition of Carica papaya papain by microtiter plate spectrofluorimetry


Bioorg Med Chem Lett 20: 252-5 (2010)


Article DOI: 10.1016/j.bmcl.2009.10.122
BindingDB Entry DOI: 10.7270/Q24X57WM
More data for this
Ligand-Target Pair