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BDBM50275363 CHEMBL486152::N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl)nicotinamide

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)N2)CC1)-c1cccs1

InChI Key: InChIKey=PCLVYCVVWYEUSB-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50275363   
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))
BDBM50275363
PNG
(CHEMBL486152 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)N2)CC1)-c1cccs1
Show InChI InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.46E+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))
BDBM50275363
PNG
(CHEMBL486152 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)N2)CC1)-c1cccs1
Show InChI InChI=1S/C23H24N6O2S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(30)16-4-6-20(25-13-16)29-9-7-23(8-10-29)14-26-22(31)28-23/h1-6,11-13H,7-10,14,24H2,(H,27,30)(H2,26,28,31)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7n/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