Identical Ligands in BindingDB

Found 9 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
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of FBPase in human liver using fructose-2,6phosphate as a substrate				Bioorg Med Chem Lett 20: 594-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.093 BindingDB Entry DOI: 10.7270/Q27H1JPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Inhibition of FBPase in human liver				Bioorg Med Chem Lett 20: 594-9 (2010) Article DOI: 10.1016/j.bmcl.2009.11.093 BindingDB Entry DOI: 10.7270/Q27H1JPX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description Concentration required to inhibit the human liver recombinant fructose-1,6-bisphosphatase.				Bioorg Med Chem Lett 11: 17-21 (2001) BindingDB Entry DOI: 10.7270/Q2HD7W52
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Metabasis Therapeutics, Inc. Curated by ChEMBL					Assay Description Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry				J Med Chem 52: 2880-98 (2009) Article DOI: 10.1021/jm900078f BindingDB Entry DOI: 10.7270/Q2V40V20
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (336/337 > 99%)† (Sus scrofa (Pig))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boston College Curated by ChEMBL					Assay Description Inhibition of pig kidney fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluco...				Eur J Med Chem 45: 1478-84 (2010) Article DOI: 10.1016/j.ejmech.2009.12.055 BindingDB Entry DOI: 10.7270/Q2445MMN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (336/337 > 99%)† (Sus scrofa (Pig))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boston College Curated by ChEMBL					Assay Description Inhibition of pig FBPase expressed in Escherichia coli EK1601 by spectrophotometry				Bioorg Med Chem 17: 3916-22 (2009) Article DOI: 10.1016/j.bmc.2009.04.030 BindingDB Entry DOI: 10.7270/Q25T3KGW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences& Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of human recombinant FBPase expressed in Escherichia coli BL21(DE3) by phosphoglucose isomerase and glucose-6-phosphate dehydrogenase coup...				Bioorg Med Chem 22: 1850-62 (2014) Article DOI: 10.1016/j.bmc.2014.01.047 BindingDB Entry DOI: 10.7270/Q2B56M79
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences&Peking Union Medical College Curated by ChEMBL					Assay Description Inhibition of human liver FBPase expressed in Escherichia coli BL21(DE3) Rosetta cells assessed as reduction of NADP+ to NADPH by phosphoglucose isom...				Eur J Med Chem 90: 394-405 (2015) Article DOI: 10.1016/j.ejmech.2014.11.049 BindingDB Entry DOI: 10.7270/Q2CJ8G7H
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fructose-1,6-bisphosphatase 1   (302/336 = 90%)† (Homo sapiens (Human))	BDBM18137 (AMP | CHEMBL752 | US11185100, TABLE 7.3 | [(2R,3S,...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Boston College Curated by ChEMBL					Assay Description Inhibition of human liver fructose-1,6-bisphosphatase expressed in Escherichia coli BL21 (DE3) assessed as reduction of NADP+ to NADPH by phosphogluc...				Eur J Med Chem 45: 1478-84 (2010) Article DOI: 10.1016/j.ejmech.2009.12.055 BindingDB Entry DOI: 10.7270/Q2445MMN
					More data for this Ligand-Target Pair				3D Structure (crystal)

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