BDBM50526160 CHEMBL4545091

SMILES: CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1

InChI Key: InChIKey=DIFQOQWBAQGDGD-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 50526160   

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 8 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 1 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 2 (Homo sapiens (Human))	BDBM50526160 (CHEMBL4545091) Show SMILES CC(C)(C)OC(=O)Nc1cccc(c1)-c1csc(NC(=O)CCCCCC(=O)Nc2ccccc2N)n1 Show InChI InChI=1S/C27H33N5O4S/c1-27(2,3)36-26(35)29-19-11-9-10-18(16-19)22-17-37-25(31-22)32-24(34)15-6-4-5-14-23(33)30-21-13-8-7-12-20(21)28/h7-13,16-17H,4-6,14-15,28H2,1-3H3,(H,29,35)(H,30,33)(H,31,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jadavpur University Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) using (FAM)-labeled acetylated peptide as substrate measured after 17 hrs by fluorescence assay				Eur J Med Chem 166: 369-380 (2019) Article DOI: 10.1016/j.ejmech.2019.01.077
					More data for this Ligand-Target Pair