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BDBM50005887 CHEMBL440290::Carbonic acid 8-butoxycarbonyloxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-anthracen-1-yl ester butyl ester

SMILES: CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12

InChI Key: InChIKey=YQTDTLOPRQESCI-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50005887   
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
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80E+3n/an/an/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
HLE-inhibitor (Human Leukocyte Elastase) dissociation constant determined by using Dixon Plot


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair
Leukocyte elastase


(Homo sapiens (Human))
BDBM50005887
PNG
(CHEMBL440290 | Carbonic acid 8-butoxycarbonyloxy-6...)
Show SMILES CCCCOC(=O)Oc1cc(C)cc2C(=O)c3cc(OC)cc(OC(=O)OCCCC)c3C(=O)c12
Show InChI InChI=1S/C26H28O9/c1-5-7-9-32-25(29)34-19-12-15(3)11-17-21(19)24(28)22-18(23(17)27)13-16(31-4)14-20(22)35-26(30)33-10-8-6-2/h11-14H,5-10H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



School of Chemistry and Biochemistry

Curated by ChEMBL


Assay Description
Compound was tested for the enzyme inhibitory activity against Human Leukocyte Elastase (HLE)


J Med Chem 35: 1597-605 (1992)


Article DOI: 10.1021/jm00087a014
BindingDB Entry DOI: 10.7270/Q2QN67D7
More data for this
Ligand-Target Pair