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BDBM50349180 CHEMBL1807530

SMILES: OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O

InChI Key: InChIKey=YVAUFFDNRVGJTL-UHFFFAOYSA-N

Data: 2 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 = 50349180   
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
Cathepsin G


(Homo sapiens (Human))
BDBM50349180
PNG
(CHEMBL1807530)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O
Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)
PDB
MMDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>10n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human cathepsin G after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (Human))
BDBM50349180
PNG
(CHEMBL1807530)
Show SMILES OC(=O)CCn1c2ccccc2n(Cc2cccc3ccccc23)c1=O
Show InChI InChI=1S/C21H18N2O3/c24-20(25)12-13-22-18-10-3-4-11-19(18)23(21(22)26)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 600n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of human chymase after 1 hr by fluorometric assay


Bioorg Med Chem Lett 21: 4533-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.126
BindingDB Entry DOI: 10.7270/Q23B60H0
More data for this
Ligand-Target Pair