BDBM50240326 CHEMBL4068727

SMILES: CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1

InChI Key: InChIKey=LIUSADRVCKXVIA-UHFFFAOYSA-N

Data: 4 KI  1 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 5 hits for monomerid = 50240326   

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))	BDBM50240326 (CHEMBL4068727) Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged p110alpha/p85alpha expressed in Spodoptera frugiperda insect cells using PIP2 as substrate by H...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50240326 (CHEMBL4068727) Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of PI3K p110gamma (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50240326 (CHEMBL4068727) Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of p110delta/p85alpha (unknown origin) using PIP2 as substrate by HTRF assay				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50240326 (CHEMBL4068727) Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged p110beta/untagged recombinant full length human p85alpha expressed in baculovirus infected Sf2...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50240326 (CHEMBL4068727) Show SMILES CS(=O)(=O)N1CCc2c(C1)nc1c(nc(cn21)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C18H22N8O3S/c1-30(27,28)25-3-2-15-14(10-25)23-17-16(24-4-6-29-7-5-24)22-13(11-26(15)17)12-8-20-18(19)21-9-12/h8-9,11H,2-7,10H2,1H3,(H2,19,20,21)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Spanish National Cancer Research Centre (CNIO) Curated by ChEMBL					Assay Description Inhibition of full-length human p110alpha (1 to 1068 end residues)/N-terminal GST-tagged p85alpha (1 to 724 end residues) expressed in baculovirus ex...				Bioorg Med Chem Lett 27: 2536-2543 (2017) Article DOI: 10.1016/j.bmcl.2017.03.090 BindingDB Entry DOI: 10.7270/Q2N87CZ1
					More data for this Ligand-Target Pair