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BDBM90463 8-[4-(dimethylamino)benzylidene]-6,10-dioxaspiro[4.5]decane-7,9-quinone::8-[[4-(dimethylamino)phenyl]methylidene]-6,10-dioxaspiro[4.5]decane-7,9-dione::MLS000678321::SMR000285277::cid_765996

SMILES: [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)cc1

InChI Key: InChIKey=MCPVFRABSULXAT-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 90463   
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
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90463
PNG
(8-[4-(dimethylamino)benzylidene]-6,10-dioxaspiro[4...)
Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)cc1
Show InChI InChI=1S/C17H19NO4/c1-18(2)13-7-5-12(6-8-13)11-14-15(19)21-17(22-16(14)20)9-3-4-10-17/h5-8,11H,3-4,9-10H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a 2.36E+3n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2NC5ZS3
More data for this
Ligand-Target Pair
corticotropin releasing factor-binding protein


(Homo sapiens (Human))
BDBM90463
PNG
(8-[4-(dimethylamino)benzylidene]-6,10-dioxaspiro[4...)
Show SMILES [#6]-[#7](-[#6])-c1ccc(\[#6]=[#6]-2/[#6](=O)-[#8]C3([#6]-[#6]-[#6]-[#6]3)[#8]-[#6]-2=O)cc1
Show InChI InChI=1S/C17H19NO4/c1-18(2)13-7-5-12(6-8-13)11-14-15(19)21-17(22-16(14)20)9-3-4-10-17/h5-8,11H,3-4,9-10H2,1-2H3
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/an/an/a 4.42E+4n/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay


Assay Description
Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...


PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2VX0F3D
More data for this
Ligand-Target Pair