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BDBM42015 3-[6-[4-(N-benzylanilino)piperidin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[6-[4-(N-benzylanilino)piperidino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one::3-[6-oxidanylidene-6-[4-[phenyl-(phenylmethyl)amino]piperidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one::3-[6-oxo-6-[4-(N-(phenylmethyl)anilino)-1-piperidinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one::AS-1010-56b::cid_24178279

SMILES: O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1

InChI Key: InChIKey=DXQMUTNFRCWNPC-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 42015   
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))
BDBM42015
PNG
(3-[6-[4-(N-benzylanilino)piperidin-1-yl]-6-oxohexy...)
Show SMILES O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)N1CCC(CC1)N(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H36N4O2S/c37-30(18-8-3-11-21-35-31(38)28-16-9-10-17-29(28)33-32(35)39)34-22-19-27(20-23-34)36(26-14-6-2-7-15-26)24-25-12-4-1-5-13-25/h1-2,4-7,9-10,12-17,27H,3,8,11,18-24H2,(H,33,39)
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Similars

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n/an/a 120n/an/an/an/an/an/a



Emory University

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 (2008)


BindingDB Entry DOI: 10.7270/Q2NG4P1K
More data for this
Ligand-Target Pair