BDBM50188900 CHEMBL3827738

SMILES: CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1

InChI Key: InChIKey=FJPHSZVLTPHNJB-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 = 50188900   

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))	BDBM50188900 (CHEMBL3827738) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1 Show InChI InChI=1S/C25H29N9O4/c1-4-34-19(15-32(2)25-26-13-17(14-27-25)24(35)31-36)28-20-22(33-9-11-38-12-10-33)29-21(30-23(20)34)16-5-7-18(37-3)8-6-16/h5-8,13-14,36H,4,9-12,15H2,1-3H3,(H,31,35)	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	1	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))	BDBM50188900 (CHEMBL3827738) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1 Show InChI InChI=1S/C25H29N9O4/c1-4-34-19(15-32(2)25-26-13-17(14-27-25)24(35)31-36)28-20-22(33-9-11-38-12-10-33)29-21(30-23(20)34)16-5-7-18(37-3)8-6-16/h5-8,13-14,36H,4,9-12,15H2,1-3H3,(H,31,35)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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