BDBM50379136 CHEMBL2012811

SMILES: CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1

InChI Key: InChIKey=WTXFMLFPFKCMHO-BTDFZRAWSA-N

Data: 5 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50379136   

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 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50379136 (CHEMBL2012811) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)13-20-15-26(40)35-18(3)27(41)37-23(11-5-4-6-12-25(39)30(31,32)33)28(42)38-24(29(43)36-20)14-19-16-34-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,34H,4-6,11-15H2,1-3H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t18-,20-,23-,24-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC3-NCoR2 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379136 (CHEMBL2012811) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)13-20-15-26(40)35-18(3)27(41)37-23(11-5-4-6-12-25(39)30(31,32)33)28(42)38-24(29(43)36-20)14-19-16-34-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,34H,4-6,11-15H2,1-3H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t18-,20-,23-,24-/m0/s1	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	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human HeLa cells nuclear extract using Fluor-de-Lys as substrate after 30 mins by spectrophotometry				ACS Med Chem Lett 2: 703-707 (2011) Article DOI: 10.1021/ml200136e BindingDB Entry DOI: 10.7270/Q2GQ6ZRX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50379136 (CHEMBL2012811) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)13-20-15-26(40)35-18(3)27(41)37-23(11-5-4-6-12-25(39)30(31,32)33)28(42)38-24(29(43)36-20)14-19-16-34-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,34H,4-6,11-15H2,1-3H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t18-,20-,23-,24-/m0/s1	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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50379136 (CHEMBL2012811) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)13-20-15-26(40)35-18(3)27(41)37-23(11-5-4-6-12-25(39)30(31,32)33)28(42)38-24(29(43)36-20)14-19-16-34-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,34H,4-6,11-15H2,1-3H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t18-,20-,23-,24-/m0/s1	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50379136 (CHEMBL2012811) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)C(F)(F)F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C30H40F3N5O5/c1-17(2)13-20-15-26(40)35-18(3)27(41)37-23(11-5-4-6-12-25(39)30(31,32)33)28(42)38-24(29(43)36-20)14-19-16-34-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,34H,4-6,11-15H2,1-3H3,(H,35,40)(H,36,43)(H,37,41)(H,38,42)/t18-,20-,23-,24-/m0/s1	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	62	n/a	n/a	n/a	n/a	n/a	n/a
Department of Cell and Molecular Biology, The Scripps Research Institute, La Jolla, CA, USA; National Yang-Ming University, Taipei, Taiwan; National Yang-Ming University Hospital, Ilan, Taiwan. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Bioorg Med Chem Lett 27: 3289-3293 (2017) Article DOI: 10.1016/j.bmcl.2017.06.027 BindingDB Entry DOI: 10.7270/Q2Z32238
					More data for this Ligand-Target Pair