BDBM50117874 CHEMBL3612310

SMILES: CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1

InChI Key: InChIKey=YWFOHQFLGQVFIB-UHFFFAOYSA-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 = 50117874   

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
p110α/p85α (Homo sapiens (Human))	BDBM50117874 (CHEMBL3612310) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	13	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) incubated for 40 mins by luciferase based ATP depletion assay				Bioorg Med Chem 23: 6477-85 (2015) BindingDB Entry DOI: 10.7270/Q24J0GX8
					More data for this Ligand-Target Pair
Mammalian target of Rapamycin (mTORC1) (Homo sapiens (Human))	BDBM50117874 (CHEMBL3612310) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition of mTORC1 (unknown origin) incubated for 40 mins by luciferase based ATP depletion assay				Bioorg Med Chem 23: 6477-85 (2015) BindingDB Entry DOI: 10.7270/Q24J0GX8
					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50117874 (CHEMBL3612310) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)	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	148	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) incubated for 40 mins by luciferase based ATP depletion assay				Bioorg Med Chem 23: 6477-85 (2015) BindingDB Entry DOI: 10.7270/Q24J0GX8
					More data for this Ligand-Target Pair
p110β/p85α (Homo sapiens (Human))	BDBM50117874 (CHEMBL3612310) Show SMILES CCN(CC)CCNC(=O)Nc1nc2ccc(cc2s1)-c1cnc(OC)c(NS(=O)(=O)c2ccc(F)cc2)c1 Show InChI InChI=1S/C26H29FN6O4S2/c1-4-33(5-2)13-12-28-25(34)31-26-30-21-11-6-17(15-23(21)38-26)18-14-22(24(37-3)29-16-18)32-39(35,36)20-9-7-19(27)8-10-20/h6-11,14-16,32H,4-5,12-13H2,1-3H3,(H2,28,30,31,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	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) incubated for 40 mins by luciferase based ATP depletion assay				Bioorg Med Chem 23: 6477-85 (2015) BindingDB Entry DOI: 10.7270/Q24J0GX8
					More data for this Ligand-Target Pair