Affinity Data by PDB ID

PDB code 1UU3

Identical Ligands in BindingDB

Found 10 hits Enzyme Inhibition Constant Data
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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 (PDK1) Mutant (V143T/T222A) (307/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (V143T) (308/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (L159M) (308/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (E166D) (308/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (T222A) (308/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	734	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-Phosphoinositide-Dependent Protein Kinase 1 (PDK1) Mutant (A162V) (308/309 > 99%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB B.MOAD GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	743	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1 (51-359) (309/309 = 100%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	7.5	30
University of Dundee					Assay Description In vitro PDK1 assay using purified enzyme, was incubated with substrate PDKtide, and test compounds in the presence of ATP/ [gamma-32P] ATP. 32P inco...				Structure 12: 215-26 (2004) Article DOI: 10.1016/j.str.2004.01.005 BindingDB Entry DOI: 10.7270/Q2SJ1HV2
University of Dundee					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (310/310 = 100%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for full-length PDPK1				Nat Biotechnol 26: 127-32 (2008) Article DOI: 10.1038/nbt1358 BindingDB Entry DOI: 10.7270/Q2TT4RX2
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (310/310 = 100%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PCBioAssay	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by PubChem BioAssay					Assay Description Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity...				PubChem Bioassay (2008) Article DOI: 10.1021/bi2002967 BindingDB Entry DOI: 10.7270/Q2FJ2F60
Ambit Biosciences Curated by PubChem BioAssay					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide dependent protein kinase-1 (310/310 = 100%)^† (Homo sapiens (Human))	BDBM17055 ((18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-tr...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a
Ambit Biosciences Curated by ChEMBL					Assay Description Binding constant for PDPK1 kinase domain				Nat Biotechnol 29: 1046-51 (2011) Article DOI: 10.1038/nbt.1990 BindingDB Entry DOI: 10.7270/Q25D8S70
Ambit Biosciences Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)

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_* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
† Identities from BLAST output