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BDBM50405202 CHEMBL52938

SMILES: CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C

InChI Key: InChIKey=ZBAXZDFEKYJLCW-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50405202   
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
Elastase


(Sus scrofa (Pig))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.16E+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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
3.39E+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
Chymotrypsin


(Homo sapiens (Human))
BDBM50405202
PNG
(CHEMBL52938)
Show SMILES CCCCc1c(oc(=O)c(CCCC)c1OC(C)=O)C1OC1C
Show InChI InChI=1S/C18H26O5/c1-5-7-9-13-16(22-12(4)19)14(10-8-6-2)18(20)23-17(13)15-11(3)21-15/h11,15H,5-10H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
PubMed
5.01E+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