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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50322348   
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
Cathepsin B


(Homo sapiens (Human))
BDBM50322348
PNG
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19|
Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1
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Article
PubMed
1.24E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin B


Bioorg Med Chem 18: 4928-38 (2010)


Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R
More data for this
Ligand-Target Pair
Procathepsin L


(Homo sapiens (Human))
BDBM50322348
PNG
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19|
Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1
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Article
PubMed
7.65E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin L


Bioorg Med Chem 18: 4928-38 (2010)


Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R
More data for this
Ligand-Target Pair
Falcipain 2


(Plasmodium falciparum)
BDBM50322348
PNG
((R)-Methyl4-(2-(3-((cyclohexylcarbamoyloxy)methyl)...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccccc2C(=N[C@H](COC(=O)NC2CCCCC2)C1=O)c1ccccc1 |r,c:19|
Show InChI InChI=1S/C30H34N4O6/c1-39-27(36)17-10-18-31-26(35)19-34-25-16-9-8-15-23(25)28(21-11-4-2-5-12-21)33-24(29(34)37)20-40-30(38)32-22-13-6-3-7-14-22/h2,4-5,8-12,15-17,22,24H,3,6-7,13-14,18-20H2,1H3,(H,31,35)(H,32,38)/b17-10+/t24-/m1/s1
PDB
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UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.90E+4n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum recombinant falcipain-2 after 10 min


Bioorg Med Chem 18: 4928-38 (2010)


Article DOI: 10.1016/j.bmc.2010.06.010
BindingDB Entry DOI: 10.7270/Q2NK3G1R
More data for this
Ligand-Target Pair