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BDBM90269 3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione::3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl]-5-isobutyl-5-methyl-hydantoin::3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione::3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione::MLS000388825::SMR000254998::cid_15945261

SMILES: CC(C)CC1(C)NC(=O)N(CC(=O)c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O

InChI Key: InChIKey=SIDUQRGWAAKLHH-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 90269   
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))
BDBM90269
PNG
(3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrr...)
Show SMILES CC(C)CC1(C)NC(=O)N(CC(=O)c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C23H27N3O5/c1-13(2)10-23(5)21(28)25(22(29)24-23)11-18(27)17-8-14(3)26(15(17)4)16-6-7-19-20(9-16)31-12-30-19/h6-9,13H,10-12H2,1-5H3,(H,24,29)
KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
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))
BDBM90269
PNG
(3-[2-[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-3-pyrr...)
Show SMILES CC(C)CC1(C)NC(=O)N(CC(=O)c2cc(C)n(c2C)-c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C23H27N3O5/c1-13(2)10-23(5)21(28)25(22(29)24-23)11-18(27)17-8-14(3)26(15(17)4)16-6-7-19-20(9-16)31-12-30-19/h6-9,13H,10-12H2,1-5H3,(H,24,29)
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/an/an/a>5.30E+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