BindingDB PrimarySearch

BDBM50341239 (3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-pyrimidinyl]-6-methyl-N-phenyl-3-piperidinecarboxamide::(3S,6R)-1-[2-amino-6-(3-amino-2H-indazol-6-yl)pyrimidin-4-yl]-6-methyl-N-phenylpiperidine-3-carboxamide::CHEMBL1614775

SMILES: C[C@@H]1CC[C@@H](CN1c1cc(nc(N)n1)-c1ccc2c(N)[nH]nc2c1)C(=O)Nc1ccccc1

InChI Key: InChIKey=TXXYVBLFLGPQOR-ZBFHGGJFSA-N

Data: 8 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50341239
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
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	MMDB PDB Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Aurora kinase B (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora B				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of aurora A				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	MMDB PDB Article PubMed	n/a	n/a	>2.93E+4	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT phosphorylation at Ser473 in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Rho-associated protein kinase 1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ROCK1				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	MMDB PDB Article PubMed	n/a	n/a	327	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT phosphorylation at Thr308 residue in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) 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 Patents Similars	MMDB PDB Article PubMed	n/a	n/a	333	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated RSK phosphorylation at Ser221 residue in human PC3 cells by ELISA				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
TGF-beta receptor type-1 (Homo sapiens (Human))	BDBM50341239 ((3S,6R)-1-[2-Amino-6-(3-amino-1H-indazol-6-yl)-4-p...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of ALK5				J Med Chem 54: 1871-95 (2011) Article DOI: 10.1021/jm101527u BindingDB Entry DOI: 10.7270/Q2HQ406Q
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair