BDBM50203680 CHEMBL3960012

SMILES: CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N

InChI Key: InChIKey=FCRWAGMUQQHCJF-KRWDZBQOSA-N

Data: 7 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 7 hits for monomerid = 50203680   

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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.28E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated PI3K-beta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	386	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-alpha (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.38E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated PI3K-alpha (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	978	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-gamma (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-delta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of PI3K-beta (unknown origin) by KinaseGlo assay				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50203680 (CHEMBL3960012) Show SMILES CCC(=O)N1CC[C@@H](C1)Oc1ncnc2ccc(cc12)-c1cnc(OC)c(c1)C#N |r| Show InChI InChI=1S/C22H21N5O3/c1-3-20(28)27-7-6-17(12-27)30-22-18-9-14(4-5-19(18)25-13-26-22)16-8-15(10-23)21(29-2)24-11-16/h4-5,8-9,11,13,17H,3,6-7,12H2,1-2H3/t17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Inhibition of myristoylated PI3K-delta (unknown origin) overexpressed in Rat1 cells assessed as inhibition of Akt phosphorylation				Bioorg Med Chem Lett 26: 5657-5662 (2016) Article DOI: 10.1016/j.bmcl.2016.10.069 BindingDB Entry DOI: 10.7270/Q20Z7574
					More data for this Ligand-Target Pair