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BDBM41667 5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol::5-[bis(1H-indol-3-yl)methyl]-2-methoxyphenol::MLS000522851::SMR000128117::cid_7118245

SMILES: COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

InChI Key: InChIKey=CWMPUSKUSXTPAT-UHFFFAOYSA-N

Data: 2 IC50  2 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 4 hits for monomerid = 41667   
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 2


(Homo sapiens (human))
BDBM41667
PNG
(5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol | 5-...)
Show SMILES COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
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n/an/an/an/a>5.00E+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/Q26D5RD0
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 10 (ADAM10)


(Homo sapiens (Human))
BDBM41667
PNG
(5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol | 5-...)
Show SMILES COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
PDB

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B.MOAD
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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/Q2930RT9
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM41667
PNG
(5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol | 5-...)
Show SMILES COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
PDB
MMDB

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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/Q2DV1HJQ
More data for this
Ligand-Target Pair
Sphingosine 1-Phosphate Receptor 2


(Homo sapiens (human))
BDBM41667
PNG
(5-[bis(1H-indol-3-yl)methyl]-2-methoxy-phenol | 5-...)
Show SMILES COc1ccc(cc1O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C24H20N2O2/c1-28-23-11-10-15(12-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,24-27H,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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PCBioAssay
n/an/an/an/a>5.00E+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/Q2902257
More data for this
Ligand-Target Pair