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BDBM31080 1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine::1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazin-1-yl]pyrazolo[3,4-d]pyrimidine::1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)piperazino]pyrazolo[3,4-d]pyrimidine::MLS000104018::SMR000017007::cid_1881562

SMILES: COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C

InChI Key: InChIKey=YMQFPOICRLHPSY-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 31080   
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))
BDBM31080
PNG
(1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-pi...)
Show SMILES COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3
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Similars

n/an/a 4.78E+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
Sphingosine 1-phosphate receptor 3


(Homo sapiens (human))
BDBM31080
PNG
(1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-pi...)
Show SMILES COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3
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Similars

n/an/a 5.06E+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
Serotonin (5-HT) receptor


(Homo sapiens)
BDBM31080
PNG
(1-(2,4-dimethylphenyl)-4-[4-(3-methoxyphenyl)-1-pi...)
Show SMILES COc1cccc(c1)N1CCN(CC1)c1ncnc2n(ncc12)-c1ccc(C)cc1C
Show InChI InChI=1S/C24H26N6O/c1-17-7-8-22(18(2)13-17)30-24-21(15-27-30)23(25-16-26-24)29-11-9-28(10-12-29)19-5-4-6-20(14-19)31-3/h4-8,13-16H,9-12H2,1-3H3
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PC cid
PC sid
UniChem

Similars

n/an/a 6.99E+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