BDBM50525693 CHEMBL4468088

SMILES: COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1

InChI Key: InChIKey=LOBJMCQPMNBKQW-NRFANRHFSA-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 = 50525693   

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))	BDBM50525693 (CHEMBL4468088) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1 |r| Show InChI InChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K delta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.051
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50525693 (CHEMBL4468088) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1 |r| Show InChI InChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K gamma (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.051
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50525693 (CHEMBL4468088) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1 |r| Show InChI InChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K alpha (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reage...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.051
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50525693 (CHEMBL4468088) Show SMILES COc1ncc(cc1C#N)-c1ccc2ncnc(N[C@H]3CCCN(C3)C(=O)c3cccnc3)c2c1 |r| Show InChI InChI=1S/C26H23N7O2/c1-35-25-19(12-27)10-20(14-29-25)17-6-7-23-22(11-17)24(31-16-30-23)32-21-5-3-9-33(15-21)26(34)18-4-2-8-28-13-18/h2,4,6-8,10-11,13-14,16,21H,3,5,9,15H2,1H3,(H,30,31,32)/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of PI3K beta (unknown origin) using phosphatidyl inositol as substrate measured after 60 mins in presence of ATP by Kinase-Glo Plus reagen...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.051
					More data for this Ligand-Target Pair