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BDBM95591 1-[1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]benzopyran-3-yl)oxy]ethyl]-4-piperidinecarboxamide::1-[2-[(6-keto-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]isonipecotamide::1-[2-[(6-oxidanylidene-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]ethanoyl]piperidine-4-carboxamide::1-[2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]acetyl]piperidine-4-carboxamide::MLS001140567::SMR000650607::cid_1769385

SMILES: NC(=O)C1CCN(CC1)C(=O)COc1ccc2c3CCCCc3c(=O)oc2c1

InChI Key: InChIKey=YYGSCYQUDZCDBG-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 95591   
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
nuclear receptor subfamily 5 group A member 2 isoform 2


(Homo sapiens (human))
BDBM95591
PNG
(1-[1-oxo-2-[(6-oxo-7,8,9,10-tetrahydrobenzo[c][1]b...)
Show SMILES NC(=O)C1CCN(CC1)C(=O)COc1ccc2c3CCCCc3c(=O)oc2c1
Show InChI InChI=1S/C21H24N2O5/c22-20(25)13-7-9-23(10-8-13)19(24)12-27-14-5-6-16-15-3-1-2-4-17(15)21(26)28-18(16)11-14/h5-6,11,13H,1-4,7-10,12H2,(H2,22,25)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

n/an/a>3.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q22F7M18
More data for this
Ligand-Target Pair