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BDBM31051 4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-pyrimido[5,4-b]indole::4-[4-(3-methoxyphenyl)-3-methyl-piperazin-1-yl]-5H-pyrimido[5,4-b]indole::4-[4-(3-methoxyphenyl)-3-methyl-piperazino]-5H-pyrimid[5,4-b]indole::4-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-5H-pyrimido[5,4-b]indole::MLS000078378::SMR000040805::cid_659735

SMILES: COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21

InChI Key: InChIKey=PMQZKKLWAZWDDO-UHFFFAOYSA-N

Data: 10 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 13 hits for monomerid = 31051   
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
5-hydroxytryptamine receptor 1A


(Homo sapiens (human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 3.31E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
A cell line containing the human 5-HT1a receptor, the promiscuous G-alpha-15 protein (Ga15) as well as the beta-lactamase (BLA) reporter-gene under c...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2S46Q8P
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 8.24E+3n/an/an/an/a7.423



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
To measure 5-HT1E activity, a Chinese Hamster Ovary (CHO) cell line was developed at the Scripps Molecular Research Institute Screening center. This ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2KH0KNM
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/an/an/a 3.57E+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))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/an/an/a 4.80E+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/Q25X2795
More data for this
Ligand-Target Pair
Sphingosine 1-phosphate receptor


(Homo sapiens (Human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/an/an/a 3.73E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
External Assay ID: S1P3_IC50_CS_5H1E_Antagonists Name: S1P3 Dose Response Assay Counterscreen for 5-Hydroxytryptamine(Serotonin) Receptor Subtype 1E ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2D50KC1
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 4.21E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q28C9TQN
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 4.85E+3n/an/an/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/Q2PR7TCX
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 4.13E+4n/an/an/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/Q26Q1VNZ
More data for this
Ligand-Target Pair
Steroidogenic Factor 1


(Homo sapiens (human))
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 2.86E+4n/an/an/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/Q2319T8T
More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 4.21E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2PC30VZ
More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 5.22E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)


BindingDB Entry DOI: 10.7270/Q2NK3CGB
More data for this
Ligand-Target Pair
Nuclear receptor ROR-alpha


(Homo sapiens)
BDBM31051
PNG
(4-[4-(3-methoxyphenyl)-3-methyl-1-piperazinyl]-5H-...)
Show SMILES COc1cccc(c1)N1CCN(CC1C)c1ncnc2c1[nH]c1ccccc21
Show InChI InChI=1S/C22H23N5O/c1-15-13-26(10-11-27(15)16-6-5-7-17(12-16)28-2)22-21-20(23-14-24-22)18-8-3-4-9-19(18)25-21/h3-9,12,14-15,25H,10-11,13H2,1-2H3
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n/an/a 3.65E+3n/an/an/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/Q2TH8K3N
More data for this
Ligand-Target Pair