BDBM50365503 CHEMBL1957463
SMILES: Nc1ccc(cc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1)-c1cccs1
InChI Key: InChIKey=KVCLJRMRZPBUCP-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50365503 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)) | BDBM50365503
(CHEMBL1957463)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1)-c1cccs1 Show InChI InChI=1S/C28H27N3O4S/c29-23-9-8-22(27-2-1-13-36-27)15-24(23)30-28(33)21-6-3-19(4-7-21)16-31(11-12-32)17-20-5-10-25-26(14-20)35-18-34-25/h1-10,13-15,32H,11-12,16-18,29H2,(H,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt UniProtKB/TrEMBL
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansai University
Curated by ChEMBL
| Assay Description Inhibition of HDAC1 |
Bioorg Med Chem Lett 22: 1926-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48 |
More data for this Ligand-Target Pair | |
Histone deacetylase 2
(Homo sapiens (Human)) | BDBM50365503
(CHEMBL1957463)Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN(CCO)Cc2ccc3OCOc3c2)cc1)-c1cccs1 Show InChI InChI=1S/C28H27N3O4S/c29-23-9-8-22(27-2-1-13-36-27)15-24(23)30-28(33)21-6-3-19(4-7-21)16-31(11-12-32)17-20-5-10-25-26(14-20)35-18-34-25/h1-10,13-15,32H,11-12,16-18,29H2,(H,30,33) | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 740 | n/a | n/a | n/a | n/a | n/a | n/a |
Kansai University
Curated by ChEMBL
| Assay Description Inhibition of HDAC2 |
Bioorg Med Chem Lett 22: 1926-30 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.053 BindingDB Entry DOI: 10.7270/Q2FQ9X48 |
More data for this Ligand-Target Pair | |