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3 similar compounds to monomer 50401027

Compile data set for download or QSAR
Wt: 364.5
BDBM50024651
Wt: 336.4
BDBM50024653
Wt: 392.5
BDBM50024662

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50024651,50024653,50024662   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50024651
PNG
(4-Hydroxy-3-nonanoyl-6-octyl-pyran-2-one | CHEMBL7...)
Show SMILES CCCCCCCCC(=O)c1c(O)cc(CCCCCCCC)oc1=O
Show InChI InChI=1S/C22H36O4/c1-3-5-7-9-11-13-15-18-17-20(24)21(22(25)26-18)19(23)16-14-12-10-8-6-4-2/h17,24H,3-16H2,1-2H3
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
4.60E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the human sputum elastase (HSE)


J Med Chem 30: 1017-23 (1987)


Article DOI: 10.1021/jm00389a010
BindingDB Entry DOI: 10.7270/Q2765DCN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50024662
PNG
(3-Decanoyl-4-hydroxy-6-nonyl-pyran-2-one | CHEMBL7...)
Show SMILES CCCCCCCCCC(=O)c1c(O)cc(CCCCCCCCC)oc1=O
Show InChI InChI=1S/C24H40O4/c1-3-5-7-9-11-13-15-17-20-19-22(26)23(24(27)28-20)21(25)18-16-14-12-10-8-6-4-2/h19,26H,3-18H2,1-2H3
PDB
MMDB

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Article
PubMed
7.90E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the human sputum elastase (HSE)


J Med Chem 30: 1017-23 (1987)


Article DOI: 10.1021/jm00389a010
BindingDB Entry DOI: 10.7270/Q2765DCN
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50024653
PNG
(6-Heptyl-4-hydroxy-3-octanoyl-pyran-2-one | CHEMBL...)
Show SMILES CCCCCCCC(=O)c1c(O)cc(CCCCCCC)oc1=O
Show InChI InChI=1S/C20H32O4/c1-3-5-7-9-11-13-16-15-18(22)19(20(23)24-16)17(21)14-12-10-8-6-4-2/h15,22H,3-14H2,1-2H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Evaluated for inhibition of the human sputum elastase (HSE)


J Med Chem 30: 1017-23 (1987)


Article DOI: 10.1021/jm00389a010
BindingDB Entry DOI: 10.7270/Q2765DCN
More data for this
Ligand-Target Pair