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BDBM37106 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecarboxylic acid methyl ester::5-hydroxy-1-(4-methoxyphenyl)-2-methyl-indole-3-carboxylic acid methyl ester::MLS000051536::SMR000079967::cid_1508818::methyl 1-(4-methoxyphenyl)-2-methyl-5-oxidanyl-indole-3-carboxylate::methyl 5-hydroxy-1-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxylate::methyl 5-hydroxy-1-(4-methoxyphenyl)-2-methylindole-3-carboxylate

SMILES: COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12

InChI Key: InChIKey=DPVJEMJNTMTDTP-UHFFFAOYSA-N

Data: 5 IC50  3 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 8 hits for monomerid = 37106   
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
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/an/an/a 6.86E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2ZC817P
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/an/an/a 2.01E+4n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/an/an/a 6.29E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


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


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2251GJ9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
PDB
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n/an/a 6.95E+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 (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q21J98DJ
More data for this
Ligand-Target Pair
Nuclear receptor coactivator 1


(Homo sapiens)
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/a 8.12E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q28914F2
More data for this
Ligand-Target Pair
nuclear receptor coactivator 3 isoform a


(Homo sapiens)
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/a 3.99E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HT2MXV
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
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n/an/a 6.95E+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 (SRIMSC) Center Affiliation: Torrey Pines Institute for Molecul...


PubChem Bioassay (2014)


BindingDB Entry DOI: 10.7270/Q25B013C
More data for this
Ligand-Target Pair
Alpha trans-inducing protein (VP16)


(Human herpesvirus 1 (strain 17) (HHV-1) (Human her...)
BDBM37106
PNG
(5-hydroxy-1-(4-methoxyphenyl)-2-methyl-3-indolecar...)
Show SMILES COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C18H17NO4/c1-11-17(18(21)23-3)15-10-13(20)6-9-16(15)19(11)12-4-7-14(22-2)8-5-12/h4-10,20H,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

n/an/a 8.89E+3n/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 (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2D21W6V
More data for this
Ligand-Target Pair