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SMILES: N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12

InChI Key: InChIKey=CVGIMJXXSMYXAG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50333018   

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))	BDBM50333018 (4-((1H-Indazol-3-yl)ethynyl)benzonitrile | CHEMBL1...) Show SMILES N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12 Show InChI InChI=1S/C16H9N3/c17-11-13-7-5-12(6-8-13)9-10-16-14-3-1-2-4-15(14)18-19-16/h1-8H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mTORC1 expressed in HEK293 cells assessed as PRAS40 Ser183 phosphorylation level by LanthaScreen cellular assay				J Med Chem 53: 8368-8375 (2010) Article DOI: 10.1021/jm100825h BindingDB Entry DOI: 10.7270/Q2NP24PS
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50333018 (4-((1H-Indazol-3-yl)ethynyl)benzonitrile | CHEMBL1...) Show SMILES N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12 Show InChI InChI=1S/C16H9N3/c17-11-13-7-5-12(6-8-13)9-10-16-14-3-1-2-4-15(14)18-19-16/h1-8H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PI3Kalpha by LanthaScreen Eu kinase binding assay				J Med Chem 53: 8368-8375 (2010) Article DOI: 10.1021/jm100825h BindingDB Entry DOI: 10.7270/Q2NP24PS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase mTOR (Homo sapiens (Human))	BDBM50333018 (4-((1H-Indazol-3-yl)ethynyl)benzonitrile | CHEMBL1...) Show SMILES N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12 Show InChI InChI=1S/C16H9N3/c17-11-13-7-5-12(6-8-13)9-10-16-14-3-1-2-4-15(14)18-19-16/h1-8H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of mTOR by LanthaScreen Eu kinase binding assay				J Med Chem 53: 8368-8375 (2010) Article DOI: 10.1021/jm100825h BindingDB Entry DOI: 10.7270/Q2NP24PS
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50333018 (4-((1H-Indazol-3-yl)ethynyl)benzonitrile | CHEMBL1...) Show SMILES N#Cc1ccc(cc1)C#Cc1n[nH]c2ccccc12 Show InChI InChI=1S/C16H9N3/c17-11-13-7-5-12(6-8-13)9-10-16-14-3-1-2-4-15(14)18-19-16/h1-8H,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of PDK1 by Z'-LYTE kinase activity assay				J Med Chem 53: 8368-8375 (2010) Article DOI: 10.1021/jm100825h BindingDB Entry DOI: 10.7270/Q2NP24PS
					More data for this Ligand-Target Pair