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BDBM50405206 CHEMBL298353

SMILES: Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O

InChI Key: InChIKey=KOTFPNOCGYLHOZ-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 = 50405206   
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))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
5.13E+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))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
9.77E+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
Elastase


(Sus scrofa (Pig))
BDBM50405206
PNG
(CHEMBL298353)
Show SMILES Cc1c(O)cc(CC(=O)c2ccccc2)oc1=O
Show InChI InChI=1S/C14H12O4/c1-9-12(15)7-11(18-14(9)17)8-13(16)10-5-3-2-4-6-10/h2-7,15H,8H2,1H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.14E+6n/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