BDBM50433034 CHEMBL2375953::US8633204, 310

SMILES: Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1

InChI Key: InChIKey=GRHRLQVZBUMCGW-IYARVYRRSA-N

Data: 2 KI  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 4 hits for monomerid = 50433034   

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 (PI3K alpha) (Mus musculus (Mouse))	BDBM50433034 (CHEMBL2375953 | US8633204, 310) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wU:11.14,wD:8.7,(66.59,-45.15,;66.6,-46.69,;65.27,-47.46,;65.26,-49,;63.93,-49.77,;66.6,-49.77,;67.93,-49.01,;69.27,-49.78,;69.26,-51.32,;67.92,-52.08,;67.91,-53.62,;69.24,-54.4,;70.58,-53.63,;70.59,-52.09,;69.23,-55.94,;67.89,-56.7,;66.56,-55.92,;65.22,-56.68,;66.57,-54.38,;70.62,-49.01,;71.95,-49.78,;70.62,-47.46,;69.27,-46.67,;67.93,-47.45,;71.96,-46.7,;73.29,-47.47,;74.62,-46.71,;74.62,-45.17,;75.95,-44.41,;75.96,-42.86,;74.62,-42.09,;73.29,-42.86,;73.29,-44.39,;71.96,-45.16,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mouse PI3Kalpha				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50433034 (CHEMBL2375953 | US8633204, 310) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wU:11.14,wD:8.7,(66.59,-45.15,;66.6,-46.69,;65.27,-47.46,;65.26,-49,;63.93,-49.77,;66.6,-49.77,;67.93,-49.01,;69.27,-49.78,;69.26,-51.32,;67.92,-52.08,;67.91,-53.62,;69.24,-54.4,;70.58,-53.63,;70.59,-52.09,;69.23,-55.94,;67.89,-56.7,;66.56,-55.92,;65.22,-56.68,;66.57,-54.38,;70.62,-49.01,;71.95,-49.78,;70.62,-47.46,;69.27,-46.67,;67.93,-47.45,;71.96,-46.7,;73.29,-47.47,;74.62,-46.71,;74.62,-45.17,;75.95,-44.41,;75.96,-42.86,;74.62,-42.09,;73.29,-42.86,;73.29,-44.39,;71.96,-45.16,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50433034 (CHEMBL2375953 | US8633204, 310) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wU:11.14,wD:8.7,(66.59,-45.15,;66.6,-46.69,;65.27,-47.46,;65.26,-49,;63.93,-49.77,;66.6,-49.77,;67.93,-49.01,;69.27,-49.78,;69.26,-51.32,;67.92,-52.08,;67.91,-53.62,;69.24,-54.4,;70.58,-53.63,;70.59,-52.09,;69.23,-55.94,;67.89,-56.7,;66.56,-55.92,;65.22,-56.68,;66.57,-54.38,;70.62,-49.01,;71.95,-49.78,;70.62,-47.46,;69.27,-46.67,;67.93,-47.45,;71.96,-46.7,;73.29,-47.47,;74.62,-46.71,;74.62,-45.17,;75.95,-44.41,;75.96,-42.86,;74.62,-42.09,;73.29,-42.86,;73.29,-44.39,;71.96,-45.16,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.3	n/a	n/a	n/a	n/a	7.4	25
Pfizer Inc. US Patent					Assay Description Compounds of the present invention were evaluated for potency against PI3-Kα using an in vitro kinase assay. PI3-Kα activity is measured in...				US Patent US8633204 (2014) BindingDB Entry DOI: 10.7270/Q2Q81BQT
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50433034 (CHEMBL2375953 | US8633204, 310) Show SMILES Cc1nc(N)nc2n([C@H]3CC[C@@H](CC3)OCC(N)=O)c(=O)c(cc12)-c1cnc2ccccc2c1 |r,wU:11.14,wD:8.7,(66.59,-45.15,;66.6,-46.69,;65.27,-47.46,;65.26,-49,;63.93,-49.77,;66.6,-49.77,;67.93,-49.01,;69.27,-49.78,;69.26,-51.32,;67.92,-52.08,;67.91,-53.62,;69.24,-54.4,;70.58,-53.63,;70.59,-52.09,;69.23,-55.94,;67.89,-56.7,;66.56,-55.92,;65.22,-56.68,;66.57,-54.38,;70.62,-49.01,;71.95,-49.78,;70.62,-47.46,;69.27,-46.67,;67.93,-47.45,;71.96,-46.7,;73.29,-47.47,;74.62,-46.71,;74.62,-45.17,;75.95,-44.41,;75.96,-42.86,;74.62,-42.09,;73.29,-42.86,;73.29,-44.39,;71.96,-45.16,)| Show InChI InChI=1S/C25H26N6O3/c1-14-19-11-20(16-10-15-4-2-3-5-21(15)28-12-16)24(33)31(23(19)30-25(27)29-14)17-6-8-18(9-7-17)34-13-22(26)32/h2-5,10-12,17-18H,6-9,13H2,1H3,(H2,26,32)(H2,27,29,30)/t17-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of AKT phosphorylation at Ser 473 in human BT20 cells				Bioorg Med Chem Lett 23: 2787-92 (2013) Article DOI: 10.1016/j.bmcl.2013.02.020 BindingDB Entry DOI: 10.7270/Q2NZ890X
					More data for this Ligand-Target Pair