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BDBM50232653 CHEMBL403467::N-(2-aminophenyl)-4-((6-methoxybenzo[d]thiazol-2-ylamino)methyl)benzamide

SMILES: COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1

InChI Key: InChIKey=RVNVHIPWKUWMGL-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50232653   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232653
PNG
(CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...)
Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 30n/an/an/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of recombinant HDAC1


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair
Histone deacetylase 1


(Homo sapiens (Human))
BDBM50232653
PNG
(CHEMBL403467 | N-(2-aminophenyl)-4-((6-methoxybenz...)
Show SMILES COc1ccc2nc(NCc3ccc(cc3)C(=O)Nc3ccccc3N)sc2c1
Show InChI InChI=1S/C22H20N4O2S/c1-28-16-10-11-19-20(12-16)29-22(26-19)24-13-14-6-8-15(9-7-14)21(27)25-18-5-3-2-4-17(18)23/h2-12H,13,23H2,1H3,(H,24,26)(H,25,27)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



MethylGene Inc

Curated by ChEMBL


Assay Description
Inhibition of HDAC1 in human T24 cells assessed as induction of histone H4 acetylation after 16 hrs relative to MS-275


Bioorg Med Chem Lett 18: 1502-6 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.057
BindingDB Entry DOI: 10.7270/Q2416WT0
More data for this
Ligand-Target Pair