BindingDB PrimarySearch

BDBM50328584 1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethyl)phenyl)-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1256459

SMILES: CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1

InChI Key: InChIKey=AKCRNFFTGXBONI-UHFFFAOYSA-N

Data: 14 IC50 3 Kd 2 EC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 19 hits for monomerid = 50328584
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of DNA-PK				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Target of rapamycin complex subunit LST8 (Homo sapiens)	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminally FLAG-tagged mTORC1 (unknown origin) expressed in HEK293T cells using S6K1 or Akt1 as substrate after 20 mins by immunoblot...				J Med Chem 61: 4656-4687 (2018) Article DOI: 10.1021/acs.jmedchem.7b01019
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	564	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of P110delta/p85-alpha				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
p110α/p85α (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of P110alpha/p85-alpha				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.290	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human mTOR complex 1 after 30 mins by FRET assay				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.68E+3	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI4Kbeta				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	176	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3K-C2 alpha				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	549	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3K-C2 beta				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	533	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human hVPS34				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	171	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of P110gamma				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR) (Mus musculus (Mouse))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to mTOR				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase MRCK alpha (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Binding affinity to MRCKA				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase alpha (PI4KA) (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI4Kalpha				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (mTOR) (Mus musculus (Mouse))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at Thr389 by immunoblotting				J Med Chem 54: 1473-80 (2011) Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha in human PC3 cells expressing Akt1 S473D mutant assessed as phosphorylation of Akt Thr308 by immunoblotting				J Med Chem 54: 1473-80 (2011) Article DOI: 10.1021/jm101520v BindingDB Entry DOI: 10.7270/Q2S46S8H
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Target of rapamycin complex 2 subunit MAPKAP1 (Homo sapiens)	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of N-terminally FLAG-tagged mTORC2 (unknown origin) expressed in human HeLa cells using S6K1 or Akt1 as substrate after 20 mins by immunob...				J Med Chem 61: 4656-4687 (2018) Article DOI: 10.1021/acs.jmedchem.7b01019
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50328584 (1-(4-(4-Propionylpiperazin-1-yl)-3-(trifluoromethy...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of human mTOR				J Med Chem 53: 7146-55 (2010) Article DOI: 10.1021/jm101144f BindingDB Entry DOI: 10.7270/Q2M32W0R
Dana Farber Cancer Institute Curated by ChEMBL					More data for this Ligand-Target Pair