BDBM50188889 CHEMBL3828289

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

InChI Key: InChIKey=DAYLWSSRTURXPD-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 = 50188889   

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
p110α/p85α (Homo sapiens (Human))	BDBM50188889 (CHEMBL3828289) Show SMILES COc1ccc(cc1-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1)C(F)(F)F Show InChI InChI=1S/C25H26F3N9O4/c1-35(24-29-11-14(12-30-24)23(38)34-39)13-18-31-19-21(36(18)2)32-20(33-22(19)37-6-8-41-9-7-37)16-10-15(25(26,27)28)4-5-17(16)40-3/h4-5,10-12,39H,6-9,13H2,1-3H3,(H,34,38)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188889 (CHEMBL3828289) Show SMILES COc1ccc(cc1-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1)C(F)(F)F Show InChI InChI=1S/C25H26F3N9O4/c1-35(24-29-11-14(12-30-24)23(38)34-39)13-18-31-19-21(36(18)2)32-20(33-22(19)37-6-8-41-9-7-37)16-10-15(25(26,27)28)4-5-17(16)40-3/h4-5,10-12,39H,6-9,13H2,1-3H3,(H,34,38)	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	1.60	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