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BDBM50187083 6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicotinamide::CHEMBL379516

SMILES: COc1ccc(CCNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1

InChI Key: InChIKey=YIEZALBXLNXYSW-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50187083   
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
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187083
PNG
(6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicot...)
Show SMILES COc1ccc(CCNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



Menarini Ricerche

Curated by ChEMBL


Assay Description
Inhibition of HDAC1


J Med Chem 51: 1505-29 (2008)


Article DOI: 10.1021/jm7011408
BindingDB Entry DOI: 10.7270/Q2M32WMT
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50187083
PNG
(6-(4-methoxyphenethylamino)-N-(2-aminophenyl)nicot...)
Show SMILES COc1ccc(CCNc2ccc(cn2)C(=O)Nc2ccccc2N)cc1
Show InChI InChI=1S/C21H22N4O2/c1-27-17-9-6-15(7-10-17)12-13-23-20-11-8-16(14-24-20)21(26)25-19-5-3-2-4-18(19)22/h2-11,14H,12-13,22H2,1H3,(H,23,24)(H,25,26)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



MethylGene Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant HDAC1


Bioorg Med Chem Lett 16: 4048-52 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.005
BindingDB Entry DOI: 10.7270/Q2CF9PP5
More data for this
Ligand-Target Pair