BDBM50475233 CHEMBL191091

SMILES: CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1

InChI Key: InChIKey=LAMIXXKAWNLXOC-UHFFFAOYSA-N

Data: 6 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

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 7 hits for monomerid = 50475233   

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 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
The Ohio State University Curated by ChEMBL					Assay Description In vitro inhibitory concentration against histone deacetylase of DU-145 prostate cell nuclear extract as deacetylation of biotinylated [3H]-acetyl hi...				J Med Chem 48: 5530-5 (2005) Article DOI: 10.1021/jm0503749 BindingDB Entry DOI: 10.7270/Q29K4F05
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of HDAC1 in human MM96L cells assessed as activation of histone H4 acetylation at Lys5, Lys8, Lys12 and Lys16 residues by Western blot ana...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7 pre-incubated for 15 mins before Ac-Leu-Gly-Lys(trifluroAc)-AMC substrate addition and measured after 60 mins b...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50475233 (CHEMBL191091) Show SMILES CC(C)C(C(=O)Nc1ccc(cc1)C(=O)NO)c1ccccc1 Show InChI InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020)
					More data for this Ligand-Target Pair