BDBM50308780 1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morpholin-4-yl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl)phenyl]urea::CHEMBL600258

SMILES: CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1

InChI Key: InChIKey=KLBQEMTZKYSAER-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50308780   

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 alpha isoform (Homo sapiens (Human))	BDBM50308780 (1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kalpha by fluorescence polarization format assay				J Med Chem 53: 798-810 (2010) Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50308780 (1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.320	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR by DELFIA				J Med Chem 53: 798-810 (2010) Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50308780 (1-(4-Hydroxymethylphenyl)-3-[4-(3-isopropyl-7-morp...) Show SMILES CC(C)n1nnc2c(nc(nc12)-c1ccc(NC(=O)Nc2ccc(CO)cc2)cc1)N1CCOCC1 Show InChI InChI=1S/C25H28N8O3/c1-16(2)33-24-21(30-31-33)23(32-11-13-36-14-12-32)28-22(29-24)18-5-9-20(10-6-18)27-25(35)26-19-7-3-17(15-34)4-8-19/h3-10,16,34H,11-15H2,1-2H3,(H2,26,27,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24.8	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of human PI3Kgamma by fluorescence polarization format assay				J Med Chem 53: 798-810 (2010) Article DOI: 10.1021/jm9014982 BindingDB Entry DOI: 10.7270/Q2NZ87RZ
					More data for this Ligand-Target Pair