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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for UniProtKB: P36400   
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
Cysteine proteinase B


(Leishmania mexicana)
BDBM50543686
PNG
(CHEMBL4640351)
Show SMILES [#6]-[#8]-c1ccc([Se;v2]c2cc(nc3ccc(-[#8]-[#6])cc23)-c2ccc(-[#8])cc2)cc1
Show InChI InChI=1S/C23H19NO3Se/c1-26-17-7-10-19(11-8-17)28-23-14-22(15-3-5-16(25)6-4-15)24-21-12-9-18(27-2)13-20(21)23/h3-14,25H,1-2H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Universidade de Mogi das Cruzes (UMC)

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115511
BindingDB Entry DOI: 10.7270/Q24F1VBJ
More data for this
Ligand-Target Pair
Cysteine proteinase B


(Leishmania mexicana)
BDBM50543687
PNG
(CHEMBL4636701)
Show SMILES [#6]-[#8]-c1ccc2nc(cc([Se;v2]c3ccccc3)c2c1)-c1c(-[#6])cccc1-[#6]
Show InChI InChI=1S/C24H21NOSe/c1-16-8-7-9-17(2)24(16)22-15-23(27-19-10-5-4-6-11-19)20-14-18(26-3)12-13-21(20)25-22/h4-15H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



Universidade de Mogi das Cruzes (UMC)

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115511
BindingDB Entry DOI: 10.7270/Q24F1VBJ
More data for this
Ligand-Target Pair
Cysteine proteinase B


(Leishmania mexicana)
BDBM50543688
PNG
(CHEMBL4635812)
Show SMILES [#6]-[#6]-[#8]-[#6](=O)-c1cc([Se;v2]c2ccccc2)c2ccccc2n1
Show InChI InChI=1S/C18H15NO2Se/c1-2-21-18(20)16-12-17(22-13-8-4-3-5-9-13)14-10-6-7-11-15(14)19-16/h3-12H,2H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Universidade de Mogi das Cruzes (UMC)

Curated by ChEMBL


Assay Description
Inhibition of Leishmania mexicana rCPB2.8 using Z-FR-AMC as substrate by spectrofluorometric analysis


Bioorg Med Chem 28: (2020)


Article DOI: 10.1016/j.bmc.2020.115511
BindingDB Entry DOI: 10.7270/Q24F1VBJ
More data for this
Ligand-Target Pair