BDBM50240325 CHEMBL4102709

SMILES: Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1

InChI Key: InChIKey=ZZVZJSLTQPSCKR-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 = 50240325   

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))	BDBM50240325 (CHEMBL4102709) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)	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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50240325 (CHEMBL4102709) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)	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	21	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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50240325 (CHEMBL4102709) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)	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	84	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
p110β/p85α (Homo sapiens (Human))	BDBM50240325 (CHEMBL4102709) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>490	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))	BDBM50240325 (CHEMBL4102709) Show SMILES Nc1ncc(cn1)-c1cn2c3CCN(Cc3nc2c(n1)N1CCOCC1)C(=O)NC1CCCCC1 Show InChI InChI=1S/C24H31N9O2/c25-23-26-12-16(13-27-23)18-15-33-20-6-7-32(24(34)28-17-4-2-1-3-5-17)14-19(20)30-22(33)21(29-18)31-8-10-35-11-9-31/h12-13,15,17H,1-11,14H2,(H,28,34)(H2,25,26,27)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.60	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