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SMILES: Brc1ccc(Cc2ccccc2)c(=O)o1

InChI Key: InChIKey=IWMUQRCUHRPBOP-UHFFFAOYSA-N

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50025560   
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-C


(Homo sapiens (Human))		BDBM50025560
PNG
(3-Benzyl-6-bromo-pyran-2-one | CHEMBL279537)
Show SMILES Brc1ccc(Cc2ccccc2)c(=O)o1
Show InChI InChI=1S/C12H9BrO2/c13-11-7-6-10(12(14)15-11)8-9-4-2-1-3-5-9/h1-7H,8H2
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
 1.12E+5n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro binding affinity towards alpha-chymotrypsin from bovine pancreas.

J Med Chem 29: 1159-63 (1987)


BindingDB Entry DOI: 10.7270/Q27080D6
More data for this
Ligand-Target Pair