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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 330.8
BDBM50045444
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 3 hits in this display   
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 H


(Capra hircus (Goat))
BDBM50045444
PNG
(CHEMBL3309804)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.35E+3n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin B


(Capra hircus (Goat))
BDBM50045444
PNG
(CHEMBL3309804)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.78E+4n/an/an/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair
Cathepsin H


(Capra hircus (Goat))
BDBM50045444
PNG
(CHEMBL3309804)
Show SMILES Clc1ccc(cc1)-c1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H15ClN2/c22-18-13-11-17(12-14-18)21-15-20(16-7-3-1-4-8-16)23-24(21)19-9-5-2-6-10-19/h1-15H
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10E+3n/an/an/an/an/an/a



Kurukshetra University

Curated by ChEMBL


Assay Description
Inhibition of goat liver cathepsin H using Leu-betaNA substrate pre-incubated 30 mins before substrate addition by colorimetry


Bioorg Med Chem 22: 4233-45 (2014)


Article DOI: 10.1016/j.bmc.2014.05.037
BindingDB Entry DOI: 10.7270/Q25Q4XQH
More data for this
Ligand-Target Pair