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SMILES: CC\C(=C/c1sc2ccccc2[n+]1CCCS([O-])(=O)=O)\C=C1/Oc2ccc(OC)cc2N1C

InChI Key: InChIKey=BOFHDMZYLSGIHY-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 79760   
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)		BDBM79760
PNG
(3-[2-[(E)-2-[(Z)-(5-methoxy-3-methyl-1,3-benzoxazo...)
Show SMILES CC\C(=C/c1sc2ccccc2[n+]1CCCS([O-])(=O)=O)\C=C1/Oc2ccc(OC)cc2N1C
Show InChI InChI=1S/C24H26N2O5S2/c1-4-17(14-23-25(2)20-16-18(30-3)10-11-21(20)31-23)15-24-26(12-7-13-33(27,28)29)19-8-5-6-9-22(19)32-24/h5-6,8-11,14-16H,4,7,12-13H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 853n/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