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BDBM50276075 CHEMBL511984::N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(3-oxo-2,8-diazaspiro[4.5]decan-8-yl)nicotinamide

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)C2)CC1)-c1cccs1

InChI Key: InChIKey=UOGVQPFUBRCCIE-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 = 50276075   
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))
BDBM50276075
PNG
(CHEMBL511984 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,28,31)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
8.70E+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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50276075
PNG
(CHEMBL511984 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C24H25N5O2S/c25-18-5-3-16(20-2-1-11-32-20)12-19(18)28-23(31)17-4-6-21(26-14-17)29-9-7-24(8-10-29)13-22(30)27-15-24/h1-6,11-12,14H,7-10,13,15,25H2,(H,27,30)(H,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 13n/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