BDBM30906 2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acetic acid methyl ester::2-(5-hydroxy-4,7-dimethyl-2-oxo-1-benzopyran-3-yl)acetic acid methyl ester::MLS000065141::SMR000078626::cid_5428525::methyl (5-hydroxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)acetate::methyl 2-(4,7-dimethyl-5-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoate::methyl 2-(5-hydroxy-4,7-dimethyl-2-oxochromen-3-yl)acetate
SMILES: COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
InChI Key: InChIKey=LTALDERGPAZTDC-UHFFFAOYSA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Homo sapiens (Human)) | BDBM30906 (2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 9.90E+4 | n/a | n/a | 7.4 | 23 |
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/Q21N7ZG0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM30906 (2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.92E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q29W0D3P | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM30906 (2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 1.19E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2FN14T0 | ||||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Envelope glycoprotein gp160 (Human immunodeficiency virus type 1 group M subtyp...) | BDBM30906 (2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 5.61E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2KD1WJB | ||||||||||||
More data for this Ligand-Target Pair |