BindingDB PrimarySearch

BDBM17004 BX-517::Indolinone based inhibitor, 4i::[(3Z)-2-oxo-3-[1-(1H-pyrrol-2-yl)ethylidene]-2,3-dihydro-1H-indol-5-yl]urea

SMILES: C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1ccc[nH]1

InChI Key: InChIKey=DFURSNCTQGJRRX-JYRVWZFOSA-N

Data: 5 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 17004
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))	BDBM17004 (BX-517 \| Indolinone based inhibitor, 4i \| [(3Z)-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences					Assay Description The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...				Bioorg Med Chem Lett 17: 3819-25 (2007) Article DOI: 10.1016/j.bmcl.2007.05.060 BindingDB Entry DOI: 10.7270/Q29G5K22
Berlex Biosciences					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM17004 (BX-517 \| Indolinone based inhibitor, 4i \| [(3Z)-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences					Assay Description The coupled assay can detect inhibitors of AKT2 activation, as well as direct inhibitors of PDK1 or AKT2. Inactive AKT2 is activated in situ by incub...				Bioorg Med Chem Lett 17: 3814-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.071 BindingDB Entry DOI: 10.7270/Q25Q4TBB
Berlex Biosciences					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM17004 (BX-517 \| Indolinone based inhibitor, 4i \| [(3Z)-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Brigham Young University Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin) after 1 hr in presence of Ser/Thr-07 by fluorometric assay				Bioorg Med Chem Lett 27: 5473-5480 (2017) Article DOI: 10.1016/j.bmcl.2017.10.041 BindingDB Entry DOI: 10.7270/Q2KD21JC
Brigham Young University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM17004 (BX-517 \| Indolinone based inhibitor, 4i \| [(3Z)-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of PDK1 (unknown origin)				J Med Chem 56: 2726-37 (2013) Article DOI: 10.1021/jm4000227 BindingDB Entry DOI: 10.7270/Q24Q7WCF
GlaxoSmithKline Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (Homo sapiens (Human))	BDBM17004 (BX-517 \| Indolinone based inhibitor, 4i \| [(3Z)-2-...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Berlex Biosciences					Assay Description PDK1 inhibitory activity is measured directly using PDK1, a peptide substrate, 33PATP, and compound followed by capture on P81 phospho-cellulose pape...				Bioorg Med Chem Lett 17: 3814-8 (2007) Article DOI: 10.1016/j.bmcl.2007.04.071 BindingDB Entry DOI: 10.7270/Q25Q4TBB
Berlex Biosciences					More data for this Ligand-Target Pair				3D Structure (crystal)