BDBM50044642 CHEMBL3311466

SMILES: CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12

InChI Key: InChIKey=URLZAKMTSXZUEP-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 = 50044642   

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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(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	10	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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(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	89	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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(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	33	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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.10	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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(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	45	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
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	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))	BDBM50044642 (CHEMBL3311466) Show SMILES CC1(C)CC(=O)Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc12 Show InChI InChI=1S/C19H27N3O4/c1-19(2)12-18(25)21-15-10-9-13(11-14(15)19)20-16(23)7-5-3-4-6-8-17(24)22-26/h9-11,26H,3-8,12H2,1-2H3,(H,20,23)(H,21,25)(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	47	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