BDBM50188893 CHEMBL3828747

SMILES: CN(Cc1nc2c(nc(Cl)nc2n1C)N1CCOCC1)c1ncc(cn1)C(=O)NO

InChI Key: InChIKey=FLPNJGZGZRYFNK-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 = 50188893   

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))	BDBM50188893 (CHEMBL3828747) Show SMILES CN(Cc1nc2c(nc(Cl)nc2n1C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C17H20ClN9O3/c1-25(17-19-7-10(8-20-17)15(28)24-29)9-11-21-12-13(26(11)2)22-16(18)23-14(12)27-3-5-30-6-4-27/h7-8,29H,3-6,9H2,1-2H3,(H,24,28)	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))	BDBM50188893 (CHEMBL3828747) Show SMILES CN(Cc1nc2c(nc(Cl)nc2n1C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C17H20ClN9O3/c1-25(17-19-7-10(8-20-17)15(28)24-29)9-11-21-12-13(26(11)2)22-16(18)23-14(12)27-3-5-30-6-4-27/h7-8,29H,3-6,9H2,1-2H3,(H,24,28)	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	1.10	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