Compile Data Set for Download or QSAR

Found 252 hits with Last Name = 'borzilleri' and Initial = 'ka'   

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
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31173 (naphthyridinone analog., 27) Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31149 (3-hydroxyquinolin-2(1H)-one, 3) Show SMILES Oc1cc2cccc(F)c2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31173 (naphthyridinone analog., 27) Show SMILES Oc1cc2c(Cl)c(F)cnc2[nH]c1=O Show InChI InChI=1S/C8H4ClFN2O2/c9-6-3-1-5(13)8(14)12-7(3)11-2-4(6)10/h1-2,13H,(H,11,12,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31156 (3-hydroxyquinolin-2(1H)-one, 10) Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31172 (3-hydroxyquinolin-2(1H)-one, 26) Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31152 (3-hydroxyquinolin-2(1H)-one, 6) Show SMILES Oc1cc2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31164 (naphthyridinone analog.,18) Show SMILES Oc1cc2cccnc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4,11H,(H,9,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31161 (3-hydroxyquinolin-2(1H)-one, 15) Show SMILES CCc1cccc2[nH]c(=O)c(O)cc12 Show InChI InChI=1S/C11H11NO2/c1-2-7-4-3-5-9-8(7)6-10(13)11(14)12-9/h3-6,13H,2H2,1H3,(H,12,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31151 (3-hydroxyquinolin-2(1H)-one, 5) Show SMILES Oc1cc2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	MMDB PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31150 (3-hydroxyquinolin-2(1H)-one, 4) Show SMILES Oc1cc2ccc(F)cc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Ketohexokinase (Homo sapiens (Human))	BDBM50380246 (CHEMBL2017214) Show SMILES CSc1ccccc1Nc1nc(nc2c(NCC3CC3)ncnc12)N1CCNCC1 Show InChI InChI=1S/C21H26N8S/c1-30-16-5-3-2-4-15(16)26-20-17-18(19(25-13-24-17)23-12-14-6-7-14)27-21(28-20)29-10-8-22-9-11-29/h2-5,13-14,22H,6-12H2,1H3,(H,23,24,25)(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31160 (3-hydroxyquinolin-2(1H)-one, 14) Show SMILES Cc1cccc2[nH]c(=O)c(O)cc12 Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-8-7(6)5-9(12)10(13)11-8/h2-5,12H,1H3,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31165 (naphthyridinone analog.,19) Show SMILES Oc1cc2cnccc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-7-3-5-4-9-2-1-6(5)10-8(7)12/h1-4,11H,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31153 (3-hydroxyquinolin-2(1H)-one, 7) Show SMILES Oc1cc2cccc(Cl)c2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31157 (3-hydroxyquinolin-2(1H)-one, 11) Show SMILES Cc1cccc2cc(O)c(=O)[nH]c12 Show InChI InChI=1S/C10H9NO2/c1-6-3-2-4-7-5-8(12)10(13)11-9(6)7/h2-5,12H,1H3,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31156 (3-hydroxyquinolin-2(1H)-one, 10) Show SMILES Oc1cc2c(Cl)cccc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31172 (3-hydroxyquinolin-2(1H)-one, 26) Show SMILES Oc1cc2c(Cl)c(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H5ClFNO2/c10-8-4-3-7(13)9(14)12-6(4)2-1-5(8)11/h1-3,13H,(H,12,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398610 (CHEMBL2177470) Show SMILES CC(C)Oc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O |r| Show InChI InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31154 (3-hydroxyquinolin-2(1H)-one, 8) Show SMILES Oc1cc2ccc(Cl)cc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-2-1-5-3-8(12)9(13)11-7(5)4-6/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398610 (CHEMBL2177470) Show SMILES CC(C)Oc1cc(CN2CC[C@]3(CN(C)S(=O)(=O)N3c3cccc(F)c3)C[C@@H]2C)ccc1O |r| Show InChI InChI=1S/C24H32FN3O4S/c1-17(2)32-23-12-19(8-9-22(23)29)15-27-11-10-24(14-18(27)3)16-26(4)33(30,31)28(24)21-7-5-6-20(25)13-21/h5-9,12-13,17-18,29H,10-11,14-16H2,1-4H3/t18-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31167 (naphthyridinone analog.,21) Show SMILES Oc1cc2ncccc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-7-4-6-5(10-8(7)12)2-1-3-9-6/h1-4,11H,(H,10,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	128	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31155 (3-hydroxyquinolin-2(1H)-one, 9) Show SMILES Oc1cc2cc(Cl)ccc2[nH]c1=O Show InChI InChI=1S/C9H6ClNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31149 (3-hydroxyquinolin-2(1H)-one, 3) Show SMILES Oc1cc2cccc(F)c2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-3-1-2-5-4-7(12)9(13)11-8(5)6/h1-4,12H,(H,11,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31152 (3-hydroxyquinolin-2(1H)-one, 6) Show SMILES Oc1cc2c(F)cccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-2-1-3-7-5(6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	196	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Homo sapiens (Human))	BDBM31158 (3-hydroxyquinolin-2(1H)-one, 12) Show SMILES Cc1ccc2cc(O)c(=O)[nH]c2c1 Show InChI InChI=1S/C10H9NO2/c1-6-2-3-7-5-9(12)10(13)11-8(7)4-6/h2-5,12H,1H3,(H,11,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	197	n/a	n/a	n/a	n/a	8.5	22
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair				3D Structure (docked)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31164 (naphthyridinone analog.,18) Show SMILES Oc1cc2cccnc2[nH]c1=O Show InChI InChI=1S/C8H6N2O2/c11-6-4-5-2-1-3-9-7(5)10-8(6)12/h1-4,11H,(H,9,10,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31148 (3-hydroxyquinolin-2(1H)-one, 2 | US9701638, 1) Show SMILES Oc1cc2ccccc2[nH]c1=O Show InChI InChI=1S/C9H7NO2/c11-8-5-6-3-1-2-4-7(6)10-9(8)12/h1-5,11H,(H,10,12)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	215	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398613 (CHEMBL2177484) Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398613 (CHEMBL2177484) Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C21H26FN3O3S/c1-16-13-21(10-11-24(16)14-17-6-8-20(26)9-7-17)15-23(2)29(27,28)25(21)19-5-3-4-18(22)12-19/h3-9,12,16,26H,10-11,13-15H2,1-2H3/t16-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 using K(biotin)RGLTTRPGSGLTNIKTEEISEVNLDAEFRHDSGA as substrate after 1 hr by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398614 (CHEMBL2177483) Show SMILES CCc1n[nH]c2ccc(CN3CC[C@]4(CN(C)S(=O)(=O)N4c4cccc(F)c4)C[C@@H]3C)cc12 |r| Show InChI InChI=1S/C24H30FN5O2S/c1-4-22-21-12-18(8-9-23(21)27-26-22)15-29-11-10-24(14-17(29)2)16-28(3)33(31,32)30(24)20-7-5-6-19(25)13-20/h5-9,12-13,17H,4,10-11,14-16H2,1-3H3,(H,26,27)/t17-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31151 (3-hydroxyquinolin-2(1H)-one, 5) Show SMILES Oc1cc2cc(F)ccc2[nH]c1=O Show InChI InChI=1S/C9H6FNO2/c10-6-1-2-7-5(3-6)4-8(12)9(13)11-7/h1-4,12H,(H,11,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	308	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Ketohexokinase (Rattus norvegicus)	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Rattus norvegicus)	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398612 (CHEMBL2177468) Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc(O)c(Cl)c1 |r| Show InChI InChI=1S/C21H25ClFN3O3S/c1-15-12-21(8-9-25(15)13-16-6-7-20(27)19(22)10-16)14-24(2)30(28,29)26(21)18-5-3-4-17(23)11-18/h3-7,10-11,15,27H,8-9,12-14H2,1-2H3/t15-,21+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	389	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK-A expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK-A expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM237920 (US9394285, 1) Show SMILES OC(=O)c1c[nH]c2cc(Cl)c(cc12)-c1ccc(cc1)C1(O)CCC1 Show InChI InChI=1S/C19H16ClNO3/c20-16-9-17-14(15(10-21-17)18(22)23)8-13(16)11-2-4-12(5-3-11)19(24)6-1-7-19/h2-5,8-10,21,24H,1,6-7H2,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-AMP-activated protein kinase subunit beta-1 (Homo sapiens (Human))	BDBM238079 (US9394285, 173) Show SMILES COc1nc(ccc1-c1cc2c(c[nH]c2cc1Cl)C(O)=O)N(C)C Show InChI InChI=1S/C17H16ClN3O3/c1-21(2)15-5-4-9(16(20-15)24-3)10-6-11-12(17(22)23)8-19-14(11)7-13(10)18/h4-8,19H,1-3H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Activation of recombinant AMPKbeta1 in cryopreserved human hepatocytes assessed as reduction in 14C-2-acetic acid incorporation after 1 hr by scintil...				J Med Chem 61: 7273-7288 (2018) Article DOI: 10.1021/acs.jmedchem.8b00807 BindingDB Entry DOI: 10.7270/Q2Q242WT
					More data for this Ligand-Target Pair				3D Structure (crystal)
D-amino-acid oxidase (Rattus norvegicus (rat))	BDBM31147 (4H-furo[3,2-b]pyrrole-5-carboxylic acid | 5-carbox...) Show SMILES OC(=O)c1cc2occc2[nH]1 Show InChI InChI=1S/C7H5NO3/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	424	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Inhibitory effect of compounds was determined in a cell free fluorescence assay. The H2O2 generated from the degradation of D-serine was linked to ox...				J Med Chem 52: 3576-85 (2009) Article DOI: 10.1021/jm900128w BindingDB Entry DOI: 10.7270/Q2CZ35HM
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK-C expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM50241178 (CHEMBL4070442) Show SMILES C[C@]1(O)CCN(C1)c1nc(cc(c1C#N)C(F)(F)F)N1C[C@H](O)[C@@H](O)C1 |r| Show InChI InChI=1S/C16H19F3N4O3/c1-15(26)2-3-22(8-15)14-9(5-20)10(16(17,18)19)4-13(21-14)23-6-11(24)12(25)7-23/h4,11-12,24-26H,2-3,6-8H2,1H3/t11-,12-,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK-C expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Homo sapiens (Human))	BDBM50349755 (CHEMBL1809182 | US8822447, 50 | US9771375, Example...) Show SMILES CCc1nn(-c2ccccc2)c2cc(ccc12)N1CC2CNCC2C1 Show InChI InChI=1S/C21H24N4/c1-2-20-19-9-8-18(24-13-15-11-22-12-16(15)14-24)10-21(19)25(23-20)17-6-4-3-5-7-17/h3-10,15-16,22H,2,11-14H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	590	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of KHK (unknown origin) using D-fructose as substrate after 60 mins in presence of ATP by LC-MS analysis				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ketohexokinase (Rattus norvegicus)	BDBM50241195 (CHEMBL4063606) Show SMILES C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O/c1-13(22)3-5-21(7-13)11-8(6-18)12(14(15,16)17)20-9-2-4-19-10(9)11/h2,4,19,22H,3,5,7H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair
Ketohexokinase (Rattus norvegicus)	BDBM50241195 (CHEMBL4063606) Show SMILES C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O/c1-13(22)3-5-21(7-13)11-8(6-18)12(14(15,16)17)20-9-2-4-19-10(9)11/h2,4,19,22H,3,5,7H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	646	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant rat N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins fol...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM50241195 (CHEMBL4063606) Show SMILES C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O/c1-13(22)3-5-21(7-13)11-8(6-18)12(14(15,16)17)20-9-2-4-19-10(9)11/h2,4,19,22H,3,5,7H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair
Ketohexokinase (Homo sapiens (Human))	BDBM50241195 (CHEMBL4063606) Show SMILES C[C@]1(O)CCN(C1)c1c(C#N)c(nc2cc[nH]c12)C(F)(F)F |r| Show InChI InChI=1S/C14H13F3N4O/c1-13(22)3-5-21(7-13)11-8(6-18)12(14(15,16)17)20-9-2-4-19-10(9)11/h2,4,19,22H,3,5,7H2,1H3/t13-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged KHK expressed in Escherichia coli BL21(DE3) using fructose as substrate incubated for 30 mins f...				J Med Chem 60: 7835-7849 (2017) Article DOI: 10.1021/acs.jmedchem.7b00947 BindingDB Entry DOI: 10.7270/Q2H997CM
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398624 (CHEMBL2177472) Show SMILES C[C@H]1C[C@@]2(CNS(=O)(=O)N2c2cccc(F)c2)CCN1Cc1cccc(c1)-c1ccccc1Cl |r| Show InChI InChI=1S/C26H27ClFN3O2S/c1-19-16-26(18-29-34(32,33)31(26)23-9-5-8-22(28)15-23)12-13-30(19)17-20-6-4-7-21(14-20)24-10-2-3-11-25(24)27/h2-11,14-15,19,29H,12-13,16-18H2,1H3/t19-,26+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50398615 (CHEMBL2177482) Show SMILES C[C@H]1C[C@@]2(CN(C)S(=O)(=O)N2c2cccc(F)c2)CCN1Cc1ccc2[nH]ccc2c1 |r| Show InChI InChI=1S/C23H27FN4O2S/c1-17-14-23(9-11-27(17)15-18-6-7-22-19(12-18)8-10-25-22)16-26(2)31(29,30)28(23)21-5-3-4-20(24)13-21/h3-8,10,12-13,17,25H,9,11,14-16H2,1-2H3/t17-,23+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	770	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of BACE1-mediated sAPPbeta production in human H4 cells expressing APP 695 after 18 hrs by ELISA				J Med Chem 55: 9224-39 (2012) Article DOI: 10.1021/jm3009426 BindingDB Entry DOI: 10.7270/Q22F7PK8
					More data for this Ligand-Target Pair

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