BDBM50150954 CHEMBL3774858

SMILES: CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12

InChI Key: InChIKey=TYGPIYZPTOOAMW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50150954   

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 1 (Homo sapiens (Human))	BDBM50150954 (CHEMBL3774858) Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12 Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	203	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...				J Med Chem 59: 1455-70 (2016) BindingDB Entry DOI: 10.7270/Q2T155H3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50150954 (CHEMBL3774858) Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12 Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5C (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...				J Med Chem 59: 1455-70 (2016) BindingDB Entry DOI: 10.7270/Q2T155H3
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50150954 (CHEMBL3774858) Show SMILES CN(c1ccc(OCCCCC(=O)NO)cc1)c1ncnc2ccccc12 Show InChI InChI=1S/C20H22N4O3/c1-24(20-17-6-2-3-7-18(17)21-14-22-20)15-9-11-16(12-10-15)27-13-5-4-8-19(25)23-26/h2-3,6-7,9-12,14,26H,4-5,8,13H2,1H3,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of KDM5B (unknown origin) using biotin-H3K4me3 as substrate preincubated for 15 mins followed by substrate addition measured after 20 mins...				J Med Chem 59: 1455-70 (2016) BindingDB Entry DOI: 10.7270/Q2T155H3
					More data for this Ligand-Target Pair