BDBM50319225 6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-benzoyl]-ureido}-hexanoic acidhydroxyamide::CHEMBL1084342
SMILES: ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(NCCN2CCCC2)c(c1)[N+]([O-])=O
InChI Key: InChIKey=KOZUJMASVPMOKH-UHFFFAOYSA-N
Data: 2 IC50
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)) | BDBM50319225 (6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd Curated by ChEMBL | Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation | Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 1 (Homo sapiens (Human)) | BDBM50319225 (6-{3-[3-nitro-4-(2-pyrrolidin-1-yl-ethylamino)-ben...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
S *BIO Pte Ltd Curated by ChEMBL | Assay Description Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation | Bioorg Med Chem Lett 20: 3314-21 (2010) Article DOI: 10.1016/j.bmcl.2010.04.041 BindingDB Entry DOI: 10.7270/Q2GT5NCX | |||||||||||
More data for this Ligand-Target Pair |