BDBM50188638 CHEMBL3828070

SMILES: CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO

InChI Key: InChIKey=PRPVKRNLBYLMIC-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 = 50188638   

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))	BDBM50188638 (CHEMBL3828070) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)19-8-6-17(7-9-19)22-31-23-21(24(32-22)36-10-12-39-13-11-36)30-20(35(23)5)16-34(4)26-28-14-18(15-29-26)25(37)33-38/h6-9,14-15,38H,10-13,16H2,1-5H3,(H,33,37)	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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188638 (CHEMBL3828070) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)19-8-6-17(7-9-19)22-31-23-21(24(32-22)36-10-12-39-13-11-36)30-20(35(23)5)16-34(4)26-28-14-18(15-29-26)25(37)33-38/h6-9,14-15,38H,10-13,16H2,1-5H3,(H,33,37)	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