BDBM50317647 (3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl-3-((S)-7-hydroxy-6-oxooctyl)decahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecine-1,4,7,10-tetraone::CHEMBL1096981
SMILES: C[C@H](O)C(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
InChI Key: InChIKey=KZMKLVLLHNILJL-REZIECOHSA-N
Data: 4 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)) | BDBM50317647![]() ((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...) | 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 | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno Curated by ChEMBL | Assay Description Inhibition of full length HDAC1 expressed in HEK293 cells after 15 mins by fluorescence assay | Bioorg Med Chem 18: 3252-60 (2010) Article DOI: 10.1016/j.bmc.2010.03.022 BindingDB Entry DOI: 10.7270/Q2BC3ZP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cereblon/Histone deacetylase 6 (Homo sapiens (Human)) | BDBM50317647![]() ((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...) | 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 | 9.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno Curated by ChEMBL | Assay Description Inhibition of full length HDAC6 expressed in HEK293 cells after 15 mins by fluorescence assay | Bioorg Med Chem 18: 3252-60 (2010) Article DOI: 10.1016/j.bmc.2010.03.022 BindingDB Entry DOI: 10.7270/Q2BC3ZP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 3 (Homo sapiens (Human)) | BDBM50317647![]() ((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...) | PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno Curated by ChEMBL | Assay Description Inhibition of full length HDAC3 expressed in HEK293 cells after 15 mins by fluorescence assay | Bioorg Med Chem 18: 3252-60 (2010) Article DOI: 10.1016/j.bmc.2010.03.022 BindingDB Entry DOI: 10.7270/Q2BC3ZP6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 2 (Homo sapiens (Human)) | BDBM50317647![]() ((3S,6S,9S,14aR)-6-((1H-indol-3-yl)methyl)-9-benzyl...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 179 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Salerno Curated by ChEMBL | Assay Description Inhibition of full length HDAC2 expressed in HEK293 cells after 15 mins by fluorescence assay | Bioorg Med Chem 18: 3252-60 (2010) Article DOI: 10.1016/j.bmc.2010.03.022 BindingDB Entry DOI: 10.7270/Q2BC3ZP6 | |||||||||||
More data for this Ligand-Target Pair |