BDBM50187084 3-(6-(3,4,5-trimethoxybenzylamino)pyridin-3-yl)-N-(2-aminophenyl)acrylamide::CHEMBL379635
SMILES: COc1cc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC
InChI Key: InChIKey=CUYARGQDZDCBCV-PKNBQFBNSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50187084 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)) | BDBM50187084
(3-(6-(3,4,5-trimethoxybenzylamino)pyridin-3-yl)-N-...)Show SMILES COc1cc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC Show InChI InChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29)/b11-9+ | 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 | 4.00E+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)) | BDBM50187084
(3-(6-(3,4,5-trimethoxybenzylamino)pyridin-3-yl)-N-...)Show SMILES COc1cc(CNc2ccc(\C=C\C(=O)Nc3ccccc3N)cn2)cc(OC)c1OC Show InChI InChI=1S/C24H26N4O4/c1-30-20-12-17(13-21(31-2)24(20)32-3)15-27-22-10-8-16(14-26-22)9-11-23(29)28-19-7-5-4-6-18(19)25/h4-14H,15,25H2,1-3H3,(H,26,27)(H,28,29)/b11-9+ | 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 | 4.00E+3 | 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 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 | |