BDBM50233667 CHEMBL4088969

SMILES: COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1

InChI Key: InChIKey=CIEPFNWWFNULHV-QFIPXVFZSA-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 = 50233667   

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 alpha isoform (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.70	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 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	21	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 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform/Phosphoinositide 3-kinase regulatory subunit 5 (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	181	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
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	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))	BDBM50233667 (CHEMBL4088969) Show SMILES COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1)-c1ccc2ncn([C@H]3CCN(CC4CC4)C3)c(=O)c2c1 |r| Show InChI InChI=1S/C28H28FN5O4S/c1-38-27-26(32-39(36,37)23-7-5-21(29)6-8-23)13-20(14-30-27)19-4-9-25-24(12-19)28(35)34(17-31-25)22-10-11-33(16-22)15-18-2-3-18/h4-9,12-14,17-18,22,32H,2-3,10-11,15-16H2,1H3/t22-/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	114	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