BDBM50151376 CHEMBL3775654

SMILES: COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12

InChI Key: InChIKey=RSCCJCHEZJEYKQ-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 = 50151376   

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))	BDBM50151376 (CHEMBL3775654) Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12 Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)	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	253	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))	BDBM50151376 (CHEMBL3775654) Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12 Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)	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	5.19E+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))	BDBM50151376 (CHEMBL3775654) Show SMILES COc1ccc(cc1OCCCCC(=O)NO)N(C)c1nc(C)nc2ccccc12 Show InChI InChI=1S/C22H26N4O4/c1-15-23-18-9-5-4-8-17(18)22(24-15)26(2)16-11-12-19(29-3)20(14-16)30-13-7-6-10-21(27)25-28/h4-5,8-9,11-12,14,28H,6-7,10,13H2,1-3H3,(H,25,27)	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	111	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