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
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3   (520/520 = 100%)† (Homo sapiens (Human))	BDBM50082121 (CHEMBL3421731) Show SMILES Cn1cc(cn1)-c1cn(C)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |r| Show InChI InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of recombinant human PFKFB3 using fructose 6 phosphate as substrate assessed as ADP generation after 1 hr by ADP Glo assay				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3   (520/520 = 100%)† (Homo sapiens (Human))	BDBM50082121 (CHEMBL3421731) Show SMILES Cn1cc(cn1)-c1cn(C)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |r| Show InChI InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	979	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as reduction of fructose-1,6-bisphosphate formation after 4 hrs by MS/MS analysis				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)
6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 3   (520/520 = 100%)† (Homo sapiens (Human))	BDBM50082121 (CHEMBL3421731) Show SMILES Cn1cc(cn1)-c1cn(C)c2ccc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)cc12 |r| Show InChI InChI=1S/C24H25N5O2/c1-28-15-21(16-13-26-29(2)14-16)20-12-19(9-10-23(20)28)31-18-7-5-17(6-8-18)27-24(30)22-4-3-11-25-22/h5-10,12-15,22,25H,3-4,11H2,1-2H3,(H,27,30)/t22-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of PFKFB3 in human A549 cells assessed as decrease in lactate secretion after 4 hrs				J Med Chem 58: 3611-25 (2015) Article DOI: 10.1021/acs.jmedchem.5b00352 BindingDB Entry DOI: 10.7270/Q2571DQB
					More data for this Ligand-Target Pair				3D Structure (crystal)

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