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BDBM50275940 CHEMBL472261::N-(2-amino-5-(thiophen-2-yl)phenyl)-6-(2-(2,2,2-trifluoroethyl)-2,8-diazaspiro[4.5]decan-8-yl)nicotinamide

SMILES: Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(F)(F)F)C2)CC1)-c1cccs1

InChI Key: InChIKey=FOQOGEKCYXBRDV-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 = 50275940   
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))
BDBM50275940
PNG
(CHEMBL472261 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(F)(F)F)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H28F3N5OS/c27-26(28,29)17-33-10-7-25(16-33)8-11-34(12-9-25)23-6-4-19(15-31-23)24(35)32-21-14-18(3-5-20(21)30)22-2-1-13-36-22/h1-6,13-15H,7-12,16-17,30H2,(H,32,35)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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DrugBank
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.90E+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))
BDBM50275940
PNG
(CHEMBL472261 | N-(2-amino-5-(thiophen-2-yl)phenyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(F)(F)F)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H28F3N5OS/c27-26(28,29)17-33-10-7-25(16-33)8-11-34(12-9-25)23-6-4-19(15-31-23)24(35)32-21-14-18(3-5-20(21)30)22-2-1-13-36-22/h1-6,13-15H,7-12,16-17,30H2,(H,32,35)
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 17n/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