BDBM50044647 CHEMBL3309286

SMILES: CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO

InChI Key: InChIKey=KSXJIIICYHHPTD-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50044647   

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 2 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC2 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC3 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC8 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC1 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC9 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC6 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50044647 (CHEMBL3309286) Show SMILES CN1C(=O)CC(C)(C)c2cc(ccc12)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C20H29N3O4/c1-20(2)13-18(25)23(3)16-10-9-14(12-15(16)20)19(26)21-11-7-5-4-6-8-17(24)22-27/h9-10,12,27H,4-8,11,13H2,1-3H3,(H,21,26)(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Pharmaceutical Chemicals Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human HDAC4 pre-incubated for 30 mins before substrate addition and measured after 30 mins by HDAC-Glo I/II assay				Bioorg Med Chem 22: 3720-31 (2014) Article DOI: 10.1016/j.bmc.2014.05.001 BindingDB Entry DOI: 10.7270/Q24T6M0V
					More data for this Ligand-Target Pair