BindingDB PrimarySearch

BDBM15067 (2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridin-3-yl)oxy-propan-2-amine::13a (S-)::5-isoquinolinyl pyridine 2::6-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}isoquinoline::isoquinoline-pyridine, 1::isoquinoline-pyridine, 3::pyridine-base inhibitor 13a

SMILES: N[C@H](COc1cncc(c1)-c1ccc2cnccc2c1)Cc1c[nH]c2ccccc12

InChI Key: InChIKey=LHQWPYOYDRVMFI-QFIPXVFZSA-N

Data: 2 KI 10 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 15067
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
Protein kinase B (Akt 1) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	2	-11.7	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
Abbott Laboratories					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				J Med Chem 52: 3159-65 (2009) Article DOI: 10.1021/jm801444x BindingDB Entry DOI: 10.7270/Q2FF3TM8
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase B (Akt 1) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT2 (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair
Serine/threonine-protein kinase AKT (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Zhejiang University Curated by ChEMBL					Assay Description Inhibition of Akt				Eur J Med Chem 44: 4090-7 (2009) Article DOI: 10.1016/j.ejmech.2009.04.050 BindingDB Entry DOI: 10.7270/Q2GT5N74
Zhejiang University Curated by ChEMBL					More data for this Ligand-Target Pair
Protein kinase C, gamma (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair
Protein kinase C (PKC) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair
Protein kinase B (Akt 1) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				J Med Chem 50: 2990-3003 (2007) Article DOI: 10.1021/jm0701019 BindingDB Entry DOI: 10.7270/Q24X562F
Abbott Laboratories					More data for this Ligand-Target Pair
Protein kinase B (Akt 1) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3150-5 (2006) Article DOI: 10.1016/j.bmcl.2006.03.041 BindingDB Entry DOI: 10.7270/Q2F769TT
Abbott Laboratories					More data for this Ligand-Target Pair
Protein kinase B (Akt 1) (Homo sapiens (Human))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3424-9 (2006) Article DOI: 10.1016/j.bmcl.2006.04.005 BindingDB Entry DOI: 10.7270/Q2K072JJ
Abbott Laboratories					More data for this Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA) (Bos taurus (bovine))	BDBM15067 ((2S)-1-(1H-indol-3-yl)-3-(5-isoquinolin-6-ylpyridi...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...				Bioorg Med Chem Lett 16: 2000-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.065 BindingDB Entry DOI: 10.7270/Q2765CKX
Abbott Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)