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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

Data: 3 IC50  1 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 = 30906   
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))
BDBM30906
PNG
(2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...)
Show SMILES COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a 9.90E+4n/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/Q21N7ZG0
More data for this
Ligand-Target Pair
Envelope glycoprotein gp160


(Human immunodeficiency virus type 1 group M subtyp...)
BDBM30906
PNG
(2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...)
Show SMILES COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PCBioAssay
n/an/a 1.92E+4n/an/an/an/an/an/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
PNG
(2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...)
Show SMILES COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
PDB

UniProtKB/SwissProt

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PC cid
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UniChem
PCBioAssay
n/an/a 1.19E+4n/an/an/an/an/an/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
PNG
(2-(5-hydroxy-2-keto-4,7-dimethyl-chromen-3-yl)acet...)
Show SMILES COC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O
Show InChI InChI=1S/C14H14O5/c1-7-4-10(15)13-8(2)9(6-12(16)18-3)14(17)19-11(13)5-7/h4-5,15H,6H2,1-3H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a 5.61E+4n/an/an/an/an/an/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