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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteine protease' and Ligand = 'BDBM50463153'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50463153
PNG
(CHEMBL4247075)
Show SMILES CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-29,35H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 26n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50463153
PNG
(CHEMBL4247075)
Show SMILES CCOC(=O)\C=C\[C@H](O)[C@H](CCc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 |r|
Show InChI InChI=1S/C32H36N2O6/c1-2-39-30(36)21-20-29(35)27(19-18-24-12-6-3-7-13-24)33-31(37)28(22-25-14-8-4-9-15-25)34-32(38)40-23-26-16-10-5-11-17-26/h3-17,20-21,27-29,35H,2,18-19,22-23H2,1H3,(H,33,37)(H,34,38)/b21-20+/t27-,28-,29-/m0/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair