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BDBM50405198 CHEMBL52356

SMILES: CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC

InChI Key: InChIKey=HCQGETOIRMHVAF-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50405198   
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))
BDBM50405198
PNG
(CHEMBL52356)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC
Show InChI InChI=1S/C26H42O5/c1-6-10-14-18-23(28)20(15-11-7-2)24-21(16-12-8-3)25(30-19(5)27)22(17-13-9-4)26(29)31-24/h20H,6-18H2,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.13E+3n/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


Citation and Details
More data for this
Ligand-Target Pair
Chymotrypsin


(Homo sapiens (human))
BDBM50405198
PNG
(CHEMBL52356)
Show SMILES CCCCCC(=O)C(CCCC)c1oc(=O)c(CCCC)c(OC(C)=O)c1CCCC
Show InChI InChI=1S/C26H42O5/c1-6-10-14-18-23(28)20(15-11-7-2)24-21(16-12-8-3)25(30-19(5)27)22(17-13-9-4)26(29)31-24/h20H,6-18H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.91E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine Chymotrypsinogen expressed as inhibitory constant


Citation and Details
More data for this
Ligand-Target Pair