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BDBM40032 2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-tetralin-1-yl-acetamide::2-(6-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanamide::2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide::2-(6-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-1,2,3,4-tetrahydronaphthalen-1-ylacetamide::MLS000044911::SMR000023018::cid_3241580

SMILES: Cc1ccc2OCC(=O)N(CC(=O)NC3CCCc4ccccc34)c2c1

InChI Key: InChIKey=OERUSWUOZGKPRI-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 40032   
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
Estrogen receptor


(Homo sapiens (Human))
BDBM40032
PNG
(2-(3-keto-6-methyl-1,4-benzoxazin-4-yl)-N-tetralin...)
Show SMILES Cc1ccc2OCC(=O)N(CC(=O)NC3CCCc4ccccc34)c2c1
Show InChI InChI=1S/C21H22N2O3/c1-14-9-10-19-18(11-14)23(21(25)13-26-19)12-20(24)22-17-8-4-6-15-5-2-3-7-16(15)17/h2-3,5,7,9-11,17H,4,6,8,12-13H2,1H3,(H,22,24)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
PCBioAssay
n/an/a>5.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: John A. Katzenellenbogen, ...


PubChem Bioassay (2007)


BindingDB Entry DOI: 10.7270/Q2QJ7FQ3
More data for this
Ligand-Target Pair