BDBM50320094 1-(2-((5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)-1H-indol-3-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-yl)-3-(pyridin-3-yl)urea::CHEMBL1082986

SMILES: COc1ccc2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1)-c1c(C)nn(C)c1C

InChI Key: InChIKey=GQKMWAFJWXSCNB-VULFUBBASA-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 = 50320094   

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))	BDBM50320094 (1-(2-((5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-y...) Show SMILES COc1ccc2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1)-c1c(C)nn(C)c1C |(-3.98,-22,;-3.98,-23.54,;-2.64,-24.31,;-2.64,-25.86,;-1.31,-26.62,;.03,-25.85,;1.49,-26.32,;2.4,-25.07,;1.49,-23.82,;2.09,-22.4,;1.32,-21.07,;1.95,-19.66,;.8,-18.64,;.8,-17.11,;-.53,-16.34,;-1.86,-17.12,;-3.2,-16.35,;-3.2,-14.81,;-1.87,-14.03,;-4.54,-14.04,;-4.55,-12.51,;-5.88,-11.76,;-5.9,-10.23,;-4.57,-9.45,;-3.24,-10.21,;-3.23,-11.74,;-1.85,-18.65,;-.53,-19.4,;-.21,-20.91,;-1.24,-22.06,;.02,-24.3,;-1.31,-23.54,;3.94,-25.07,;4.84,-26.32,;4.36,-27.78,;6.3,-25.85,;6.3,-24.3,;7.55,-23.39,;4.84,-23.82,;4.36,-22.36,)| Show InChI InChI=1S/C30H26N6O4/c1-16-27(17(2)36(3)35-16)28-22(21-13-20(39-4)8-9-24(21)34-28)14-26-29(37)23-12-18(7-10-25(23)40-26)32-30(38)33-19-6-5-11-31-15-19/h5-15,34H,1-4H3,(H2,32,33,38)/b26-14+	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	5.20	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: 3526-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.139 BindingDB Entry DOI: 10.7270/Q2FQ9WSC
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50320094 (1-(2-((5-methoxy-2-(1,3,5-trimethyl-1H-pyrazol-4-y...) Show SMILES COc1ccc2[nH]c(c(\C=C3\Oc4ccc(NC(=O)Nc5cccnc5)cc4C3=O)c2c1)-c1c(C)nn(C)c1C |(-3.98,-22,;-3.98,-23.54,;-2.64,-24.31,;-2.64,-25.86,;-1.31,-26.62,;.03,-25.85,;1.49,-26.32,;2.4,-25.07,;1.49,-23.82,;2.09,-22.4,;1.32,-21.07,;1.95,-19.66,;.8,-18.64,;.8,-17.11,;-.53,-16.34,;-1.86,-17.12,;-3.2,-16.35,;-3.2,-14.81,;-1.87,-14.03,;-4.54,-14.04,;-4.55,-12.51,;-5.88,-11.76,;-5.9,-10.23,;-4.57,-9.45,;-3.24,-10.21,;-3.23,-11.74,;-1.85,-18.65,;-.53,-19.4,;-.21,-20.91,;-1.24,-22.06,;.02,-24.3,;-1.31,-23.54,;3.94,-25.07,;4.84,-26.32,;4.36,-27.78,;6.3,-25.85,;6.3,-24.3,;7.55,-23.39,;4.84,-23.82,;4.36,-22.36,)| Show InChI InChI=1S/C30H26N6O4/c1-16-27(17(2)36(3)35-16)28-22(21-13-20(39-4)8-9-24(21)34-28)14-26-29(37)23-12-18(7-10-25(23)40-26)32-30(38)33-19-6-5-11-31-15-19/h5-15,34H,1-4H3,(H2,32,33,38)/b26-14+	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	0.5	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: 3526-9 (2010) Article DOI: 10.1016/j.bmcl.2010.04.139 BindingDB Entry DOI: 10.7270/Q2FQ9WSC
					More data for this Ligand-Target Pair