BDBM50150946 CHEMBL3775457

SMILES: COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO

InChI Key: InChIKey=WPYUKFSQAANHNM-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 = 50150946   

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))	BDBM50150946 (CHEMBL3775457) Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	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))	BDBM50150946 (CHEMBL3775457) Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+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))	BDBM50150946 (CHEMBL3775457) Show SMILES COc1ccc(Nc2nc(C)nc3ccccc23)cc1OCCCC(=O)NO Show InChI InChI=1S/C20H22N4O4/c1-13-21-16-7-4-3-6-15(16)20(22-13)23-14-9-10-17(27-2)18(12-14)28-11-5-8-19(25)24-26/h3-4,6-7,9-10,12,26H,5,8,11H2,1-2H3,(H,24,25)(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+3	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