BDBM50188906 CHEMBL3828482

SMILES: CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=JZOAUZSYKPVSHN-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 = 50188906   

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))	BDBM50188906 (CHEMBL3828482) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N12O3/c1-3-34-15(12-32(2)22-26-10-14(11-27-22)20(35)31-36)28-16-18(33-4-6-37-7-5-33)29-17(30-19(16)34)13-8-24-21(23)25-9-13/h8-11,36H,3-7,12H2,1-2H3,(H,31,35)(H2,23,24,25)	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	2.60	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
p110α/p85α (Homo sapiens (Human))	BDBM50188906 (CHEMBL3828482) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N12O3/c1-3-34-15(12-32(2)22-26-10-14(11-27-22)20(35)31-36)28-16-18(33-4-6-37-7-5-33)29-17(30-19(16)34)13-8-24-21(23)25-9-13/h8-11,36H,3-7,12H2,1-2H3,(H,31,35)(H2,23,24,25)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	28	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