BDBM50304675 1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thieno[3,2-d]pyrimidin-2-yl)phenyl)-3-(pyridin-3-yl)urea::CHEMBL595256

SMILES: O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1)Nc1cccnc1

InChI Key: InChIKey=IKYYAFMKEGKZGC-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50304675   

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))	BDBM50304675 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1)Nc1cccnc1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-2-1-10-25-12-17)26-16-5-3-15(4-6-16)22-28-20-9-11-33-21(20)23(29-22)30-13-18-7-8-19(14-30)32-18/h1-6,9-12,18-19H,7-8,13-14H2,(H2,26,27,31)	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	119	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50304675 (1-(4-(4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)thien...) Show SMILES O=C(Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2sccc2n1)Nc1cccnc1 |TLB:11:12:19:15.16| Show InChI InChI=1S/C24H22N6O2S/c31-24(27-17-2-1-10-25-12-17)26-16-5-3-15(4-6-16)22-28-20-9-11-33-21(20)23(29-22)30-13-18-7-8-19(14-30)32-18/h1-6,9-12,18-19H,7-8,13-14H2,(H2,26,27,31)	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	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Inhibition of mTOR				Bioorg Med Chem Lett 20: 375-9 (2010) Article DOI: 10.1016/j.bmcl.2009.10.075 BindingDB Entry DOI: 10.7270/Q2251J8J
					More data for this Ligand-Target Pair