BindingDB PrimarySearch

BDBM50306160 (S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyrazolo[4,3-b]pyrazin-5-yl)pyridin-3-yloxy)-3-(1H-indol-3-yl)propan-2-amine::CHEMBL594523

SMILES: Cc1n[nH]c2ncc(nc12)-c1cc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c(C)nc1-c1ccoc1

InChI Key: InChIKey=XKNDLPMAXNMALL-IBGZPJMESA-N

Data: 5 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50306160
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
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM50306160 ((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human AKT1				Bioorg Med Chem Lett 20: 684-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.061 BindingDB Entry DOI: 10.7270/Q20V8CXX
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM50306160 ((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human AKT2				Bioorg Med Chem Lett 20: 684-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.061 BindingDB Entry DOI: 10.7270/Q20V8CXX
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50306160 ((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of CYP3A4				Bioorg Med Chem Lett 20: 684-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.061 BindingDB Entry DOI: 10.7270/Q20V8CXX
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50306160 ((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of GSK2beta phosphorylation in human BT474 cells				Bioorg Med Chem Lett 20: 684-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.061 BindingDB Entry DOI: 10.7270/Q20V8CXX
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM50306160 ((S)-1-(6-(furan-3-yl)-2-methyl-5-(3-methyl-1H-pyra...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of human AKT3				Bioorg Med Chem Lett 20: 684-8 (2010) Article DOI: 10.1016/j.bmcl.2009.11.061 BindingDB Entry DOI: 10.7270/Q20V8CXX
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair