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BDBM58093 3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-2-benzofuran-1-one::3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-isobenzofuranone::3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one::MLS000736489::SMR000528039::Thymophthalein::cid_31316::thymolphthalein

SMILES: CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C

InChI Key: InChIKey=LDKDGDIWEUUXSH-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 58093   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Melanocortin receptor 4


(Homo sapiens (Human))
BDBM58093
PNG
(3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-...)
Show SMILES CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
Show InChI InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
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PCBioAssay
n/an/a>6.46E+4n/an/an/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 (SRISMC) Center Affiliation: The Scripps Research Institute, TS...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2FT8JMN
More data for this
Ligand-Target Pair
streptokinase A precursor


(Streptococcus pyogenes M1 GAS)
BDBM58093
PNG
(3,3-bis(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)-...)
Show SMILES CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
Show InChI InChI=1S/C28H30O4/c1-15(2)20-13-23(17(5)11-25(20)29)28(22-10-8-7-9-19(22)27(31)32-28)24-14-21(16(3)4)26(30)12-18(24)6/h7-16,29-30H,1-6H3
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MMDB

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PC cid
PC sid
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PCBioAssay
n/an/an/an/a 1.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Group A streptococcus, GAS, streptokinase, expression, virulence, inhibition, dose response, EC50 Assay Overview: The goal of this assa...


PubChem Bioassay (2009)


BindingDB Entry DOI: 10.7270/Q2736PBV
More data for this
Ligand-Target Pair