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BDBM79662 2-keto-N-(2-methoxy-5-methyl-phenyl)-1,7,7-trimethyl-3-oxabicyclo[2.2.1]heptane-4-carboxamide::MLS000534892::N-(2-methoxy-5-methyl-phenyl)-1,7,7-trimethyl-2-oxidanylidene-3-oxabicyclo[2.2.1]heptane-4-carboxamide::N-(2-methoxy-5-methylphenyl)-1,7,7-trimethyl-2-oxo-3-oxabicyclo[2.2.1]heptane-4-carboxamide::N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide::SMR000142327::cid_2945215

SMILES: COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C

InChI Key: InChIKey=YCGJFIWFNGHVKJ-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 79662   
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
cardiac alpha tropomyosin


(Sus scrofa)
BDBM79662
PNG
(2-keto-N-(2-methoxy-5-methyl-phenyl)-1,7,7-trimeth...)
Show SMILES COc1ccc(C)cc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C |THB:18:17:20:14.13|
Show InChI InChI=1S/C18H23NO4/c1-11-6-7-13(22-5)12(10-11)19-14(20)18-9-8-17(4,15(21)23-18)16(18,2)3/h6-7,10H,8-9H2,1-5H3,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>7.15E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q21N7ZKB
More data for this
Ligand-Target Pair