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BDBM50275768 CHEMBL499776::N-(2-aminophenyl)-6-(2,8-diazaspiro[4.5]decan-8-yl)nicotinamide

SMILES: Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1

InChI Key: InChIKey=WBVZKEJQMRQWKP-UHFFFAOYSA-N

Data: 1 KI  2 IC50

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 3 hits for monomerid = 50275768   
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))
BDBM50275768
PNG
(CHEMBL499776 | N-(2-aminophenyl)-6-(2,8-diazaspiro...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C20H25N5O/c21-16-3-1-2-4-17(16)24-19(26)15-5-6-18(23-13-15)25-11-8-20(9-12-25)7-10-22-14-20/h1-6,13,22H,7-12,14,21H2,(H,24,26)
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PubMed
2.15E+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 3


(Homo sapiens (Human))
BDBM50275768
PNG
(CHEMBL499776 | N-(2-aminophenyl)-6-(2,8-diazaspiro...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C20H25N5O/c21-16-3-1-2-4-17(16)24-19(26)15-5-6-18(23-13-15)25-11-8-20(9-12-25)7-10-22-14-20/h1-6,13,22H,7-12,14,21H2,(H,24,26)
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n/an/a 3.40E+5n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human HDAC3 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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50275768
PNG
(CHEMBL499776 | N-(2-aminophenyl)-6-(2,8-diazaspiro...)
Show SMILES Nc1ccccc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2)CC1
Show InChI InChI=1S/C20H25N5O/c21-16-3-1-2-4-17(16)24-19(26)15-5-6-18(23-13-15)25-11-8-20(9-12-25)7-10-22-14-20/h1-6,13,22H,7-12,14,21H2,(H,24,26)
PDB
MMDB

NCI pathway
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 160n/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