BDBM50259740 CHEMBL4098370

SMILES: Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N

InChI Key: InChIKey=ICRGISWWFWOAFM-NDEPHWFRSA-N

Data: 4 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 4 hits for monomerid = 50259740   

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 delta isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha (unknown origin) using biotinylated PIP2 as substrate after 2 hrs by TR-FRET assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50259740 (CHEMBL4098370) Show SMILES Cc1nc(N)nc(N2CCC[C@H]2c2nc3cccc(C#CCCCC(=O)N4CCCC4)c3c(=O)n2-c2ccccc2)c1C#N |r| Show InChI InChI=1S/C34H34N8O2/c1-23-26(22-35)31(39-34(36)37-23)41-21-11-17-28(41)32-38-27-16-10-13-24(12-4-2-7-18-29(43)40-19-8-9-20-40)30(27)33(44)42(32)25-14-5-3-6-15-25/h3,5-6,10,13-16,28H,2,7-9,11,17-21H2,1H3,(H2,36,37,39)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Materia Medica (SIMM) Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma (unknown origin) using PIP2 as substrate measured after 30 mins by HTRF assay				Eur J Med Chem 125: 1156-1171 (2017) Article DOI: 10.1016/j.ejmech.2016.11.014 BindingDB Entry DOI: 10.7270/Q2FF3VTC
					More data for this Ligand-Target Pair