BDBM50503690 CHEMBL4456445

SMILES: ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F

InChI Key: InChIKey=LMGDHGQJJLEAPQ-UHFFFAOYSA-N

Data: 1 KI  12 IC50  1 Kd

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 14 hits for monomerid = 50503690   

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 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	PubMed	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4				Bioorg Med Chem 28: (2020)
					More data for this Ligand-Target Pair
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Displacement of [3H]dofetilide from recombinant human ERG after 60 mins by scintillation counting method				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of HDAC6 in human A549 cells using tubulin as substrate measured after 4 hrs by Western blot analysis				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Class 1 histone deacetylase (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of HDAC class 1 in human A549 cells using histone H4K12 as substrate measured after 4 hrs by Western blot analysis				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	112	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Binding affinity to HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) by surface plasmon resonance analysis				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Ac-Arg-Gly-Lys(Ac) as substrate...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 4 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of HDAC4 catalytic domain (648 to 1057 residues) (unknown origin) using Boc-Lys-TFA as substrate measured after 60 mins by fluorescence as...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged HDAC9 (604 to 1066 residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substr...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human C-terminal His-tagged HDAC5 catalytic domain (656 to 1122 residues) expressed in baculovirus infected Sf9 insect cells using Boc-...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal His-tagged HDAC8 expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substrate measure...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human full length C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using Lys-Ac-AMC as substrate mea...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of human N-terminal GST-tagged HDAC7 (518 to end residues) expressed in baculovirus infected Sf9 insect cells using Boc-Lys-TFA as substra...				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50503690 (CHEMBL4456445) Show SMILES ONC(=O)C(c1ccc(cc1)-c1ncc(cn1)C(F)(F)F)c1ccccc1F Show InChI InChI=1S/C19H13F4N3O2/c20-15-4-2-1-3-14(15)16(18(27)26-28)11-5-7-12(8-6-11)17-24-9-13(10-25-17)19(21,22)23/h1-10,16,28H,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Charles River Discovery (previously BioFocus) Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 expressed in HEK293 cells using Lys-Ac-AMC as substrate measured after 60 mins by fluorescence assay				Bioorg Med Chem Lett 29: 83-88 (2019) Article DOI: 10.1016/j.bmcl.2018.11.009
					More data for this Ligand-Target Pair