BDBM50234080 CHEMBL258813::N-(2-aminophenyl)-4-(3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)prop-1-enyl)benzamide
SMILES: Nc1ccccc1NC(=O)c1ccc(\C=C\CNc2nccc(n2)-c2cccnc2)cc1
InChI Key: InChIKey=ALYLGVYHLHSTHO-HWKANZROSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50234080 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50234080
(CHEMBL258813 | N-(2-aminophenyl)-4-(3-(4-(pyridin-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H22N6O/c26-21-7-1-2-8-23(21)30-24(32)19-11-9-18(10-12-19)5-3-15-28-25-29-16-13-22(31-25)20-6-4-14-27-17-20/h1-14,16-17H,15,26H2,(H,30,32)(H,28,29,31)/b5-3+ | 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/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50234080
(CHEMBL258813 | N-(2-aminophenyl)-4-(3-(4-(pyridin-...)Show SMILES Nc1ccccc1NC(=O)c1ccc(\C=C\CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C25H22N6O/c26-21-7-1-2-8-23(21)30-24(32)19-11-9-18(10-12-19)5-3-15-28-25-29-16-13-22(31-25)20-6-4-14-27-17-20/h1-14,16-17H,15,26H2,(H,30,32)(H,28,29,31)/b5-3+ | 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/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
MethylGene Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human recombinant HDAC1 |
Bioorg Med Chem Lett 19: 644-9 (2009)
Article DOI: 10.1016/j.bmcl.2008.12.048
BindingDB Entry DOI: 10.7270/Q2PN95J1 |
More data for this
Ligand-Target Pair | |
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