BDBM50051031 CHEMBL2158745
SMILES: [H][C@]12CCCN1C(=O)[C@@]([H])(NC(=O)[C@@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CCCCCC(=O)NO)NC2=O)[C@@H](C)CC
InChI Key: InChIKey=NXTMDUWTQZXRRK-GXCCDKSUSA-N
Data: 3 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)) | BDBM50051031 (CHEMBL2158745) | 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 | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of human HDAC1 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 6 (Mus musculus) | BDBM50051031 (CHEMBL2158745) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of mouse HDAC6 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone deacetylase 4 (Homo sapiens (Human)) | BDBM50051031 (CHEMBL2158745) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Rajshahi Curated by ChEMBL | Assay Description Inhibition of human HDAC4 expressed in HEK293T cells assessed as aminomethyl coumarin release using Ac-KGLGK(Ac)-MCA) substrate after 30 mins by FLIP... | Bioorg Med Chem 22: 3862-70 (2014) Article DOI: 10.1016/j.bmc.2014.06.031 BindingDB Entry DOI: 10.7270/Q2K93953 | |||||||||||
More data for this Ligand-Target Pair |