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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50322342   
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)
BDBM50322342
PNG
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
87n/an/an/an/an/an/an/an/a



Universit£ di Messina

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain after 10 mins


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)
BDBM50322342
PNG
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
460n/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
Cathepsin B


(Homo sapiens (Human))
BDBM50322342
PNG
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1
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Article
PubMed
6.10E+3n/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))
BDBM50322342
PNG
((R)-Methyl4-(2-(7-chloro-3-((4-chloro-2-(trifluoro...)
Show SMILES COC(=O)\C=C\CNC(=O)CN1c2ccc(Cl)cc2C(=N[C@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1=O)c1ccccc1 |r,c:20|
Show InChI InChI=1S/C31H25Cl2F3N4O6/c1-45-27(42)8-5-13-37-26(41)16-40-25-12-10-19(32)14-21(25)28(18-6-3-2-4-7-18)38-24(29(40)43)17-46-30(44)39-23-11-9-20(33)15-22(23)31(34,35)36/h2-12,14-15,24H,13,16-17H2,1H3,(H,37,41)(H,39,44)/b8-5+/t24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
2.98E+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