BindingDB logo
myBDB logout

BDBM50409596 CHEMBL2028923

SMILES: CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C

InChI Key: InChIKey=QPVPANRZAYZEBY-ROUUACIJSA-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 = 50409596   
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
Papain


(Carica papaya)
BDBM50409596
PNG
(CHEMBL2028923)
Show SMILES CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C
Show InChI InChI=1S/C21H33N5O4/c1-5-6-12-22-20(29)18(14(2)3)24-21(30)26-25-19(28)17(23-15(4)27)13-16-10-8-7-9-11-16/h7-11,14,17-18H,5-6,12-13H2,1-4H3,(H,22,29)(H,23,27)(H,25,28)(H2,24,26,30)/t17-,18-/m0/s1
PDB
MMDB

UniProtKB/SwissProt

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

Similars

PubMed
28n/an/an/an/an/an/an/an/a



University of Gda£?sk

Curated by ChEMBL


Assay Description
In vitro inhibition of papain.


Citation and Details
More data for this
Ligand-Target Pair