BDBM30862 1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::1-allyl-2,5-dioxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carbonitrile::2,5-bis(oxidanylidene)-1-prop-2-enyl-dipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::2,5-dioxo-1-prop-2-enyl-3-dipyrido[1,2-d:3',4'-f]pyrimidinecarbonitrile::2,5-dioxo-1-prop-2-enyldipyrido[1,2-d:3',4'-f]pyrimidine-3-carbonitrile::MLS000094258::SMR000029848::cid_3239161

SMILES C=CCn1c2nc3ccccn3c(=O)c2cc(C#N)c1=O

InChI Key InChIKey=ARCGSTOFFXSCJR-UHFFFAOYSA-N

Data  4 IC50  5 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 30862   

Target5-hydroxytryptamine receptor 1A(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataEC50:  2.40E+4nMpH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 3(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataEC50: >4.50E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute, TSRI Networ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataIC50:  4.47E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataEC50:  6.45E+4nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetdTDP-4-dehydrorhamnose 3,5-epimerase(Mycobacterium tuberculosis H37Rv)
Pcmd

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataIC50:  1.94E+3nMAssay Description:Molecular Library Screening Center Network (MLSCN) Penn Center for Molecular Discovery (PCMD) Assay Provider: Michael McNeil, Colorado State Universi...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataIC50:  23nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 1(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataEC50:  2.46E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Center Affiliation: The Scripps Research Institute (TS...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetEstrogen receptor beta(Homo sapiens (Human))
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataIC50:  2.11E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSphingosine 1-phosphate receptor 2(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM30862(1-allyl-2,5-diketo-dipyrido[1,2-d:3',4'-f]pyrimidi...)
Affinity DataEC50:  1.98E+5nMAssay Description:Source (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay