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BDBM50275708 CHEMBL486737::N-(2-aminophenyl)-6-(7-(phenylsulfonyl)-2,7-diazaspiro[4.4]nonan-2-yl)nicotinamide

SMILES: Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1

InChI Key: InChIKey=KPMJOTUARMGJAE-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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

Found 2 hits for monomerid = 50275708   
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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275708
PNG
(CHEMBL486737 | N-(2-aminophenyl)-6-(7-(phenylsulfo...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1
Show InChI InChI=1S/C25H27N5O3S/c26-21-8-4-5-9-22(21)28-24(31)19-10-11-23(27-16-19)29-14-12-25(17-29)13-15-30(18-25)34(32,33)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18,26H2,(H,28,31)
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PC cid
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Article
PubMed
2.85E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [35S]MK499 from human ERG expressed in HEK293 cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50275708
PNG
(CHEMBL486737 | N-(2-aminophenyl)-6-(7-(phenylsulfo...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCN(C2)S(=O)(=O)c2ccccc2)C1
Show InChI InChI=1S/C25H27N5O3S/c26-21-8-4-5-9-22(21)28-24(31)19-10-11-23(27-16-19)29-14-12-25(17-29)13-15-30(18-25)34(32,33)20-6-2-1-3-7-20/h1-11,16H,12-15,17-18,26H2,(H,28,31)
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MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 120n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC1 expressed in mammalian cells


Bioorg Med Chem Lett 18: 6104-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.052
BindingDB Entry DOI: 10.7270/Q23R0SQ2
More data for this
Ligand-Target Pair