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BDBM50349178 CHEMBL1807535

SMILES: Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1

InChI Key: InChIKey=PURFUAGIJITRCK-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 = 50349178   
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))
BDBM50349178
PNG
(CHEMBL1807535)
Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.5n/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))
BDBM50349178
PNG
(CHEMBL1807535)
Show SMILES Cc1cc(C)c2c(Cn3c4ccccc4n(CCC(O)=O)c3=O)nsc2c1
Show InChI InChI=1S/C20H19N3O3S/c1-12-9-13(2)19-14(21-27-17(19)10-12)11-23-16-6-4-3-5-15(16)22(20(23)26)8-7-18(24)25/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 280n/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