BDBM50188901 CHEMBL3827477

SMILES: COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1

InChI Key: InChIKey=PYWFANCSAVFFLU-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50188901   

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))	BDBM50188901 (CHEMBL3827477) Show SMILES COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1 Show InChI InChI=1S/C26H31N9O4/c1-16(2)35-20(15-33(3)26-27-13-18(14-28-26)25(36)32-37)29-21-23(34-9-11-39-12-10-34)30-22(31-24(21)35)17-5-7-19(38-4)8-6-17/h5-8,13-14,16,37H,9-12,15H2,1-4H3,(H,32,36)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50188901 (CHEMBL3827477) Show SMILES COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1 Show InChI InChI=1S/C26H31N9O4/c1-16(2)35-20(15-33(3)26-27-13-18(14-28-26)25(36)32-37)29-21-23(34-9-11-39-12-10-34)30-22(31-24(21)35)17-5-7-19(38-4)8-6-17/h5-8,13-14,16,37H,9-12,15H2,1-4H3,(H,32,36)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length recombinant human His-tagged p110 alpha/p85 alpha expressed in baculovirus expression system incubated for 1 hr by kinase-g...				J Med Chem 59: 5488-504 (2016) BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair