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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50300778   
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
Procathepsin L


(Homo sapiens (Human))
BDBM50300778
PNG
(6-((2',6'-dimethylbiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H24N6O/c1-16-6-3-7-17(2)21(16)19-9-4-8-18(12-19)14-26-23-22-24(29-20(13-25)28-23)30(15-27-22)10-5-11-31/h3-4,6-9,12,15,31H,5,10-11,14H2,1-2H3,(H,26,28,29)
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin L


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cysteine protease


(Trypanosoma brucei rhodesiense)
BDBM50300778
PNG
(6-((2',6'-dimethylbiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H24N6O/c1-16-6-3-7-17(2)21(16)19-9-4-8-18(12-19)14-26-23-22-24(29-20(13-25)28-23)30(15-27-22)10-5-11-31/h3-4,6-9,12,15,31H,5,10-11,14H2,1-2H3,(H,26,28,29)
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Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Trypanosoma brucei rhodesiense rhodesain


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair
Cathepsin B


(Homo sapiens (Human))
BDBM50300778
PNG
(6-((2',6'-dimethylbiphenyl-3-yl)methylamino)-9-(3-...)
Show SMILES Cc1cccc(C)c1-c1cccc(CNc2nc(nc3n(CCCO)cnc23)C#N)c1
Show InChI InChI=1S/C24H24N6O/c1-16-6-3-7-17(2)21(16)19-9-4-8-18(12-19)14-26-23-22-24(29-20(13-25)28-23)30(15-27-22)10-5-11-31/h3-4,6-9,12,15,31H,5,10-11,14H2,1-2H3,(H,26,28,29)
PDB
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Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>1.50E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human liver cathepsin B


J Med Chem 52: 6489-93 (2009)


Article DOI: 10.1021/jm900908p
BindingDB Entry DOI: 10.7270/Q2K074BP
More data for this
Ligand-Target Pair