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BDBM50405193 CHEMBL300602

SMILES: CCCCc1c(C)oc(=O)c(CCCC)c1O

InChI Key: InChIKey=MFSWAYMHEVPKDU-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 = 50405193   
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))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.62E+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))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
6.46E+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))
BDBM50405193
PNG
(CHEMBL300602)
Show SMILES CCCCc1c(C)oc(=O)c(CCCC)c1O
Show InChI InChI=1S/C14H22O3/c1-4-6-8-11-10(3)17-14(16)12(13(11)15)9-7-5-2/h15H,4-9H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.35E+6n/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