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BDBM50276028 CHEMBL469514::N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)nicotinamide

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1

InChI Key: InChIKey=HWMRDBKBMQHAFV-UHFFFAOYSA-N

Data: 1 KI  1 IC50  1 EC50

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 = 50276028   
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))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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PC cid
PC sid
UniChem
Article
PubMed
8.62E+3n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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n/an/an/an/a 1.80E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at human ERG expressed in CHO cells by patch-clamp assay


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))
BDBM50276028
PNG
(CHEMBL469514 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCNC2=O)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-13-32-20)14-19(18)28-22(30)17-4-6-21(27-15-17)29-11-8-24(9-12-29)7-10-26-23(24)31/h1-6,13-15H,7-12,25H2,(H,26,31)(H,28,30)
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n/an/a 21n/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