BindingDB PrimarySearch

BDBM50341069 2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazin-2-ylamino)acetonitrile::CHEMBL1615182::[(4-{2-[(3-hydroxyphenyl)amino]-1H-benzimidazol-1-yl}-1,3,5-triazin-2-yl)amino]acetonitrile

SMILES: Oc1cccc(Nc2nc3ccccc3n2-c2ncnc(NCC#N)n2)c1

InChI Key: InChIKey=FEBJYEFFVIDUNF-UHFFFAOYSA-N

Data: 4 KI 13 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50341069
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
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	52	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assa...				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kgamma				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
RAF proto-oncogene serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of c-Raf at 1 uM relative to control				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Vascular endothelial growth factor receptor 2 (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of KDR at 1 uM relative to control				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of CK1delta at 1 uM relative to control				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Casein kinase I isoform delta (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of DCAMKL3 at 1 uM relative to control				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
TGF-beta receptor type II (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of TGFR2 at 1 uM relative to control				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of mTOR assessed as inhibition of phosphorylation of 4EBP1 by Lantha-Screen enzyme assay				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged mTOR-mediated 4EBP1 phosphorylation after 90 mins by FRET assay				J Med Chem 55: 5188-219 (2012) Article DOI: 10.1021/jm300184s BindingDB Entry DOI: 10.7270/Q23F4QSJ
Amgen Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kdelta				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kbeta				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of 4EBP1 at T37/46				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50341069 (2-(4-(2-(3-hydroxyphenylamino)-1H-benzo[d]imidazol...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Amgen Inc Curated by ChEMBL					Assay Description Inhibition of mTOR in human U-87 cells assessed as inhibition of phosphorylation of AKT at S473				Bioorg Med Chem Lett 21: 2064-70 (2011) Article DOI: 10.1016/j.bmcl.2011.02.007 BindingDB Entry DOI: 10.7270/Q2FT8MBW
Amgen Inc Curated by ChEMBL					More data for this Ligand-Target Pair