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BDBM50405201 CHEMBL54204

SMILES: Cc1oc(=O)c(C)c(O)c1C

InChI Key: InChIKey=ZCLDVNJXGNOJKY-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 = 50405201   
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
Chymotrypsin


(Homo sapiens (Human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem
PubMed
1.82E+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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
4.90E+6n/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
Elastase


(Sus scrofa (Pig))
BDBM50405201
PNG
(CHEMBL54204)
Show SMILES Cc1oc(=O)c(C)c(O)c1C
Show InChI InChI=1S/C8H10O3/c1-4-6(3)11-8(10)5(2)7(4)9/h9H,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
PubMed
2.19E+7n/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