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BDBM50275942 2-(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)pyridin-2-yl)-2,8-diazaspiro[4.5]decan-2-yl)acetic acid::CHEMBL471219

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

InChI Key: InChIKey=ZBBFNHDLHQDVMB-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 = 50275942   
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))
BDBM50275942
PNG
(2-(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(O)=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H29N5O3S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)29-25(34)19-4-6-23(28-15-19)31-11-8-26(9-12-31)7-10-30(17-26)16-24(32)33/h1-6,13-15H,7-12,16-17,27H2,(H,29,34)(H,32,33)
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
3.20E+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))
BDBM50275942
PNG
(2-(8-(5-(2-amino-5-(thiophen-2-yl)phenylcarbamoyl)...)
Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CCN(CC(O)=O)C2)CC1)-c1cccs1
Show InChI InChI=1S/C26H29N5O3S/c27-20-5-3-18(22-2-1-13-35-22)14-21(20)29-25(34)19-4-6-23(28-15-19)31-11-8-26(9-12-31)7-10-30(17-26)16-24(32)33/h1-6,13-15H,7-12,16-17,27H2,(H,29,34)(H,32,33)
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