BDBM50233666 CHEMBL4097625

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1

InChI Key: InChIKey=IXSQTDIQFDKYIS-NRFANRHFSA-N

Data: 5 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 = 50233666   

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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	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	PubMed	n/a	n/a	106	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110delta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110beta/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110alpha/p85alpha (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 (Homo sapiens (Human))	BDBM50233666 (CHEMBL4097625) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(C3)C(=O)C3CC3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H26FN5O5S/c1-39-26-25(32-40(37,38)22-7-5-20(29)6-8-22)13-19(14-30-26)18-4-9-24-23(12-18)28(36)34(16-31-24)21-10-11-33(15-21)27(35)17-2-3-17/h4-9,12-14,16-17,21,32H,2-3,10-11,15H2,1H3/t21-/m0/s1	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	PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of P110gamma/PIK3R5 (unknown origin) using L-alpha-phosphatidylinositol as substrate after 40 mins by ATP depletion assay				Bioorg Med Chem 23: 7765-76 (2015) BindingDB Entry DOI: 10.7270/Q2222X19
					More data for this Ligand-Target Pair