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SMILES: CS(O)(=O)=O.CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c23

InChI Key: InChIKey=PJORITBODHKTOG-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79757   
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
Tropomyosin alpha-1 chain


(Sus scrofa)		BDBM79757
PNG
(1,1,7,7-tetramethyl-2,3,6,7-tetrahydro-1H,5H-pyrid...)
Show SMILES CS(O)(=O)=O.CC1(C)CCN2CCC(C)(C)c3c(O)ccc1c23
Show InChI InChI=1S/C16H23NO.CH4O3S/c1-15(2)7-9-17-10-8-16(3,4)13-12(18)6-5-11(15)14(13)17;1-5(2,3)4/h5-6,18H,7-10H2,1-4H3;1H3,(H,2,3,4)
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 3.33E+3n/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