BindingDB PrimarySearch

BDBM50341209 9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phenyl)benzo[h][1,6]naphthyridin-2(1H)-one::CHEMBL1765602

SMILES: Nc1ccc(cn1)-c1ccc2ncc3ccc(=O)n(-c4cccc(c4)C(F)(F)F)c3c2c1

InChI Key: InChIKey=GUXXEUUYCAYESJ-UHFFFAOYSA-N

Data: 12 IC50 6 EC50

PDB links: 2 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50341209
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
p110α/p85α (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of P110 alpha/p85alpha				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
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ATR in human HCT116 cells assessed as after 1 hr by Western blot analysis				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
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	0.5	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 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
Serine/threonine-protein kinase mTOR (mTOR) (Mus musculus (Mouse))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.25	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				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	5.70	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 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 3-kinase catalytic subunit type 3 (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of hVPS34				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-kinase beta (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI4K beta				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-phosphate 3-kinase C2 domain-containing subunit beta (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3K-C2beta				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-phosphate 3-kinase C2 domain-containing subunit alpha (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of PI3K-C2alpha				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				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	200	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
Phosphatidylinositol 4-kinase alpha (PI4KA) (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB 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 PI4K alpha				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
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.25	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mTOR (unknown origin)				Bioorg Med Chem 26: 4537-4543 (2018) Article DOI: 10.1016/j.bmc.2018.07.047 BindingDB Entry DOI: 10.7270/Q20C4ZDW
China Pharmaceutical University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	118	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of DNAPK in human HCT116 cells assessed as after 1 hr by Western blot analysis				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-protein kinase ATM (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of ATM in human HCT116 cells assessed as after 1 hr by Western blot analysis				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
Target of rapamycin complex subunit LST8 (Homo sapiens)	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	250	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mTORC1 in human HCT116 cells assessed as reduction in T389 phosphorylation on RPS6KB1 after 1 hr by Western blot analysis				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				3D Structure (crystal)
Target of rapamycin complex subunit LST8 (Homo sapiens)	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB 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 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				3D Structure (crystal)
Target of rapamycin complex 2 subunit MAPKAP1 (Homo sapiens)	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB 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
Phosphoinositide 3-Kinase (PI3K), delta (Homo sapiens (Human))	BDBM50341209 (9-(6-aminopyridin-3-yl)-1-(3-(trifluoromethyl)phen...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Dana Farber Cancer Institute Curated by ChEMBL					Assay Description Inhibition of P110delta/P85alpha				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