BDBM21030 (2R,3S,6Z,14S,15S,17R)-6-{[tert-butyl(methyl)amino]methylidene}-8,14-dihydroxy-3-(methoxymethyl)-2,15-dimethyl-5,9-dioxo-4-oxatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-1(10),7-dien-17-yl acetate::17-Hydroxywortmannin Analogue, 9

SMILES: COC[C@H]1OC(=O)C(=CN(C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C

InChI Key: InChIKey=WSPMGQQQSDEUII-PVYDLWMYSA-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 = 21030   

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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM21030 ((2R,3S,6Z,14S,15S,17R)-6-{[tert-butyl(methyl)amino...) Show SMILES COC[C@H]1OC(=O)C(=CN(C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20| Show InChI InChI=1S/C28H39NO8/c1-14(30)36-17-11-27(5)16(9-10-18(27)31)20-22(17)28(6)19(13-35-8)37-25(34)15(12-29(7)26(2,3)4)21(28)24(33)23(20)32/h12,16-19,21,31H,9-11,13H2,1-8H3/t16?,17-,18+,19-,21?,27+,28+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.50E+3	n/a	n/a	n/a	n/a	7.4	30
Wyeth Research					Assay Description The enzyme was assayed in DELFIA format using purified FLAG-TOR in kinase buffer containing ATP and His6-S6K in the presence of inhibitor compounds. ...				J Med Chem 51: 1319-23 (2008) Article DOI: 10.1021/jm7012858 BindingDB Entry DOI: 10.7270/Q2NP22QD
					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha/4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM21030 ((2R,3S,6Z,14S,15S,17R)-6-{[tert-butyl(methyl)amino...) Show SMILES COC[C@H]1OC(=O)C(=CN(C)C(C)(C)C)C2C(=O)C(=O)C3=C([C@@H](C[C@]4(C)[C@@H](O)CCC34)OC(C)=O)[C@@]12C |r,w:8.8,t:20| Show InChI InChI=1S/C28H39NO8/c1-14(30)36-17-11-27(5)16(9-10-18(27)31)20-22(17)28(6)19(13-35-8)37-25(34)15(12-29(7)26(2,3)4)21(28)24(33)23(20)32/h12,16-19,21,31H,9-11,13H2,1-8H3/t16?,17-,18+,19-,21?,27+,28+/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	7.5	22
Wyeth Research					Assay Description Inhibition of PI3K enzyme activity is measured in a microtiter plate-based fluorescence polarization (FP) assay.				J Med Chem 51: 1319-23 (2008) Article DOI: 10.1021/jm7012858 BindingDB Entry DOI: 10.7270/Q2NP22QD
					More data for this Ligand-Target Pair