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Compile Data Set for Download or QSAR

Found 3 hits of ki for monomerid = 50405200   
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
Elastase


(Sus scrofa (Pig))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.41E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine pancreatic elastase (PP elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (Human))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.24E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405200
PNG
(CHEMBL54583)
Show SMILES CCCCc1c(O)c(CCCC)c(=O)oc1\C(=C\C)c1ccccc1
Show InChI InChI=1S/C22H28O3/c1-4-7-14-18-20(23)19(15-8-5-2)22(24)25-21(18)17(6-3)16-12-10-9-11-13-16/h6,9-13,23H,4-5,7-8,14-15H2,1-3H3/b17-6+
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
3.63E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against human leukocyte elastase (HL elastase) expressed as inhibitory constant


J Med Chem 28: 1828-32 (1986)


BindingDB Entry DOI: 10.7270/Q28S4R4F
More data for this
Ligand-Target Pair