BDBM50247553 CHEMBL4095667

SMILES: ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1

InChI Key: InChIKey=FBAMZGIGIXSVJK-UHFFFAOYSA-N

Data: 12 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 12 hits for monomerid = 50247553   

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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.795	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged HDAC6 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT1 (1 to 747 end residues) expressed in Escherichia coli using Ac-RHK-K(Ac)-AMC as substrate...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal Strep2-tagged HDAC11 (1 to 347 residues) expressed in baculovirus infected insect cells using Boc-Lys(TFA)...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	636	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged/N-terminal Strep2-tagged HDAC8 (1 to 377 residues) expressed in insect cells using RHK-K(Ac)-AM...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	766	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate after 6...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 (395 to 489 residues) expressed in insect cells u...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged/N-terminal GST-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(Ac)-AM...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal GST-tagged HDAC2 expressed in baculovirus infected insect cells using RHK-K(Ac)-AMC as substra...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf21 cells using RHK-K(Ac)-AMC as subs...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of human HDAC10 using RHKKAc as substrate				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC9 (unknown origin)				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50247553 (CHEMBL4095667) Show SMILES ONC(=O)c1ccc(CNc2cccc3ncccc23)cc1 Show InChI InChI=1S/C17H15N3O2/c21-17(20-22)13-8-6-12(7-9-13)11-19-16-5-1-4-15-14(16)3-2-10-18-15/h1-10,19,22H,11H2,(H,20,21)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal His-tagged HDAC5 (656 to 1122 residues) expressed in insect cells using Boc-K(Ac)-AMC as substrate after 6...				J Med Chem 61: 905-917 (2018) BindingDB Entry DOI: 10.7270/Q2Q81GGB
					More data for this Ligand-Target Pair