Identical Ligands in BindingDB

Found 3 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	koff s-1	kon M-1s-1	pH	Temp °C
3-phosphoinositide-dependent protein kinase 1 [51-360]   (295/295 = 100%)† (Homo sapiens (Human))	BDBM50361645 (CHEMBL1234429 | US9873693, Compound 144) Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F |r| Show InChI InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	n/a	n/a	<500	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description A PDK1 kinase assay was performed as follows. PDK1 (amino acids 51-360) and AKT2 (amino acids 140-467 fused to PIFtide, amino acids EEQEMFRDFDYIADW) ...				J Med Chem 51: 68-76 (2008) BindingDB Entry DOI: 10.7270/Q2H41TRT
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1   (297/297 = 100%)† (Homo sapiens (Human))	BDBM92406 (PDK1 inhibitor, 7) Show SMILES Fc1ccc(Cn2cccc(C(=O)NC(COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F Show InChI InChI=1S/C28H20F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)	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	n/a	n/a	1	n/a	n/a	n/a	n/a
Merck Research Laboratories					Assay Description Enzyme potency (PDK1 EC50)was determined using recombinant, purified full-length human PDK1 enzyme and AKT-Thr-308-tide as substrate.				J Biol Chem 286: 6433-48 (2011) Article DOI: 10.1074/jbc.M110.156463 BindingDB Entry DOI: 10.7270/Q21C1VGQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
3-phosphoinositide-dependent protein kinase 1   (297/297 = 100%)† (Homo sapiens (Human))	BDBM50361645 (CHEMBL1234429 | US9873693, Compound 144) Show SMILES Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F |r| Show InChI InChI=1S/C28H22F2N4O4/c29-21-10-8-17(13-22(21)30)15-34-12-4-7-20(27(34)36)26(35)31-25(18-5-2-1-3-6-18)16-38-19-9-11-23-24(14-19)33-28(37)32-23/h1-14,25H,15-16H2,(H,31,35)(H2,32,33,37)/t25-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	n/a	n/a	1	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDK1-mediated AKT1 phosphorylation at T308 in human H460 cells after 2 hrs by ELISA				J Med Chem 54: 8490-500 (2011) Article DOI: 10.1021/jm201019k BindingDB Entry DOI: 10.7270/Q23N23TV
					More data for this Ligand-Target Pair				3D Structure (crystal)

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