BDBM50189007 CHEMBL3827398

SMILES: [#6]-[#7](-[#6]-c1nc2c(nc(nc2n1-[#6])-c1ccc(cc1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ncc(cn1)-[#6](=O)-[#7]-[#8]

InChI Key: InChIKey=SXWMTUOQURUNSR-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 = 50189007   

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))	BDBM50189007 (CHEMBL3827398) Show SMILES [#6]-[#7](-[#6]-c1nc2c(nc(nc2n1-[#6])-c1ccc(cc1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ncc(cn1)-[#6](=O)-[#7]-[#8] Show InChI InChI=1S/C33H42N10O3/c1-22(2)11-13-42(14-12-23(3)4)26-9-7-24(8-10-26)29-37-30-28(31(38-29)43-15-17-46-18-16-43)36-27(41(30)6)21-40(5)33-34-19-25(20-35-33)32(44)39-45/h7-12,19-20,45H,13-18,21H2,1-6H3,(H,39,44)	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	10	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))	BDBM50189007 (CHEMBL3827398) Show SMILES [#6]-[#7](-[#6]-c1nc2c(nc(nc2n1-[#6])-c1ccc(cc1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ncc(cn1)-[#6](=O)-[#7]-[#8] Show InChI InChI=1S/C33H42N10O3/c1-22(2)11-13-42(14-12-23(3)4)26-9-7-24(8-10-26)29-37-30-28(31(38-29)43-15-17-46-18-16-43)36-27(41(30)6)21-40(5)33-34-19-25(20-35-33)32(44)39-45/h7-12,19-20,45H,13-18,21H2,1-6H3,(H,39,44)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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