Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 1 hit 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   (308/310 > 99%)† (Homo sapiens (Human))	BDBM199118 ((2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymeth...) Show SMILES Nc1ncnc2n(cnc12)C1OC(CO)C(O)C1O Show InChI InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)	PDB GoogleScholar	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	7.4	n/a
Universitätsklinikum Frankfurt					Assay Description Titrations were performed by a 0.4 µl injection followed by 19 successive injections (2 µl) of each compound(adenosine 500 µM, PS653 250 µM) into a 2...				Cell Chem Biol 23: 1193-1205 (2016) Article DOI: 10.1016/j.chembiol.2016.06.017 BindingDB Entry DOI: 10.7270/Q23N226C
					More data for this Ligand-Target Pair				3D Structure (crystal)

• Reorder this table by ec50
• Reorder this table by ic50
• Reorder this table by Kd
• Reorder this table by pH
• Reorder this table by T
• Reorder this table by ΔH°
• Reorder this table by -TΔS°
• Change energy units to:  kcal/mole

Search BindingMOAD for More Affinity Data:

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