Compile Data Set for Download or QSAR

Found 640 hits with Last Name = 'nencka' and Initial = 'r'   

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
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20079 (5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...) Show SMILES Clc1c(CN2CCCC2=N)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.30	-52.8	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20061 (5-Substituted-6-chlorouracil, 7a | 6-chloro-5-(cyc...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCC1 |t:10| Show InChI InChI=1S/C9H9ClN2O2/c10-7-6(5-3-1-2-4-5)8(13)12-9(14)11-7/h3H,1-2,4H2,(H2,11,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	200	-39.8	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20069 (5-Substituted-6-chlorouracil, 10e | 6-chloro-5-(th...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccs1 Show InChI InChI=1S/C8H5ClN2O2S/c9-6-5(4-2-1-3-14-4)7(12)11-8(13)10-6/h1-3H,(H2,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	-38.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20065 (5-Substituted-6-chlorouracil, 10a | 6-chloro-5-phe...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1 Show InChI InChI=1S/C10H7ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	400	-38.0	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20073 (5-Substituted-6-chlorouracil, 13c | 6-chloro-5-[(1...) Show SMILES CCCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:4.4| Show InChI InChI=1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	410	-37.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20062 (5-Substituted-6-chlorouracil, 7b | 6-chloro-5-(cyc...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1C1=CCCCC1 |t:10| Show InChI InChI=1S/C10H11ClN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h4H,1-3,5H2,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	420	-37.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20064 (5-Substituted-6-chlorouracil, 7d | 6-chloro-5-[(2E...) Show SMILES CCC(=CC)c1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3| Show InChI InChI=1S/C9H11ClN2O2/c1-3-5(4-2)6-7(10)11-9(14)12-8(6)13/h3H,4H2,1-2H3,(H2,11,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	490	-37.5	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20075 (6-Fluoro-5-phenylpyrimidine-2,4(1H,3H)-dione, 21 |...) Show SMILES Fc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1 Show InChI InChI=1S/C10H7FN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	500	-37.4	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20072 (5-Substituted-6-chlorouracil, 13b | 5-[(1E)-but-1-...) Show SMILES CCC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:3.3| Show InChI InChI=1S/C8H9ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h3-4H,2H2,1H3,(H2,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	630	-36.8	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20068 (5-Substituted-6-chlorouracil, 10d | 6-chloro-5-(4-...) Show SMILES Fc1ccc(cc1)-c1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C10H6ClFN2O2/c11-8-7(9(15)14-10(16)13-8)5-1-3-6(12)4-2-5/h1-4H,(H2,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	710	-36.5	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20056 (5-Substituted-6-chlorouracil, 5c | 5-butyl-6-chlor...) Show SMILES CCCCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C8H11ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h2-4H2,1H3,(H2,10,11,12,13)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.03E+3	-35.5	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20059 (5-Substituted-6-chlorouracil, 5f | 6-chloro-5-hept...) Show SMILES CCCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C11H17ClN2O2/c1-2-3-4-5-6-7-8-9(12)13-11(16)14-10(8)15/h2-7H2,1H3,(H2,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.06E+3	-35.5	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20071 (5-Substituted-6-chlorouracil, 13a | 6-chloro-5-[(1...) Show SMILES CC=Cc1c(Cl)[nH]c(=O)[nH]c1=O |w:1.0| Show InChI InChI=1S/C7H7ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H,1H3,(H2,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.17E+3	-35.2	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20076 (6-Bromo-5-phenylpyrimidine-2,4(1H,3H)-dione, 23 | ...) Show SMILES Brc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1 Show InChI InChI=1S/C10H7BrN2O2/c11-8-7(6-4-2-1-3-5-6)9(14)13-10(15)12-8/h1-5H,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.21E+3	-35.1	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20066 (5-Substituted-6-chlorouracil, 10b | 6-chloro-5-(3,...) Show SMILES Cc1cc(C)cc(c1)-c1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C12H11ClN2O2/c1-6-3-7(2)5-8(4-6)9-10(13)14-12(17)15-11(9)16/h3-5H,1-2H3,(H2,14,15,16,17)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.74E+3	-34.2	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20058 (5-Substituted-6-chlorouracil, 5e | 6-chloro-5-hexy...) Show SMILES CCCCCCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C10H15ClN2O2/c1-2-3-4-5-6-7-8(11)12-10(15)13-9(7)14/h2-6H2,1H3,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.83E+3	-34.1	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20070 (5-Substituted-6-chlorouracil, 10f | 6-chloro-5-(py...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccnc1 Show InChI InChI=1S/C9H6ClN3O2/c10-7-6(5-2-1-3-11-4-5)8(14)13-9(15)12-7/h1-4H,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.01E+3	-32.8	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20063 (5-Substituted-6-chlorouracil, 7c | 6-chloro-5-(pro...) Show SMILES CC(=C)c1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C7H7ClN2O2/c1-3(2)4-5(8)9-7(12)10-6(4)11/h1H2,2H3,(H2,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.34E+3	-32.5	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20057 (5-Substituted-6-chlorouracil, 5d | 6-chloro-5-pent...) Show SMILES CCCCCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C9H13ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h2-5H2,1H3,(H2,11,12,13,14)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.67E+3	-32.3	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20067 (5-Substituted-6-chlorouracil, 10c | 6-chloro-5-(na...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1-c1cccc2ccccc12 |(.16,2.02,;-1.17,2.79,;-2.51,2.02,;-3.84,2.79,;-5.18,2.02,;-3.84,4.33,;-2.51,5.1,;-2.51,6.64,;-1.17,4.33,;.16,5.1,;.16,6.64,;1.49,7.41,;2.83,6.64,;2.83,5.1,;4.16,4.33,;4.16,2.79,;2.83,2.02,;1.49,2.79,;1.49,4.33,)| Show InChI InChI=1S/C14H9ClN2O2/c15-12-11(13(18)17-14(19)16-12)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.59E+3	-31.7	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20060 (5-Substituted-6-chlorouracil, 5g | 5-benzyl-6-chlo...) Show SMILES Clc1[nH]c(=O)[nH]c(=O)c1Cc1ccccc1 Show InChI InChI=1S/C11H9ClN2O2/c12-9-8(10(15)14-11(16)13-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,13,14,15,16)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.65E+3	-31.7	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20055 (5-Substituted-6-chlorouracil, 5b | 6-chloro-5-prop...) Show SMILES CCCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C7H9ClN2O2/c1-2-3-4-5(8)9-7(12)10-6(4)11/h2-3H2,1H3,(H2,9,10,11,12)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.81E+3	-31.1	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20054 (5-Substituted-6-chlorouracil, 5a | 6-chloro-5-ethy...) Show SMILES CCc1c(Cl)[nH]c(=O)[nH]c1=O Show InChI InChI=1S/C6H7ClN2O2/c1-2-3-4(7)8-6(11)9-5(3)10/h2H2,1H3,(H2,8,9,10,11)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>2.00E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20077 (5-Phenyl-6-pyrrolidin-1-ylpyrimidine-2,4(1H,3H)-di...) Show SMILES O=c1[nH]c(N2CCCC2)c(-c2ccccc2)c(=O)[nH]1 Show InChI InChI=1S/C14H15N3O2/c18-13-11(10-6-2-1-3-7-10)12(15-14(19)16-13)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2,(H2,15,16,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20078 (6-[(2-Aminoethyl)amino]-5-phenylpyrimidine-2,4(1H,...) Show SMILES NCCNc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1 Show InChI InChI=1S/C12H14N4O2/c13-6-7-14-10-9(8-4-2-1-3-5-8)11(17)16-12(18)15-10/h1-5H,6-7,13H2,(H3,14,15,16,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Thymidine phosphorylase (Homo sapiens (Human))	BDBM20074 (6-Methyl-5-phenylpyrimidine-2,4(1H,3H)-dione, 16 |...) Show SMILES Cc1[nH]c(=O)[nH]c(=O)c1-c1ccccc1 Show InChI InChI=1S/C11H10N2O2/c1-7-9(8-5-3-2-4-6-8)10(14)13-11(15)12-7/h2-6H,1H3,(H2,12,13,14,15)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+4	>-27.9	n/a	n/a	n/a	n/a	n/a	6.4	37
Gilead Sciences Inc.					Assay Description The enzyme reaction was started by the addition of enzyme to the reaction mixture containing substrate and test compounds. The reaction was stopped b...				J Med Chem 50: 6016-23 (2007) Article DOI: 10.1021/jm070644i BindingDB Entry DOI: 10.7270/Q2M043PX
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200009 (CHEMBL3923414) Show SMILES COc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H27ClN6O5S/c1-14-21(29-22(26-14)17(13-20(23)27-29)25-7-6-24-15(2)30)16-4-5-18(33-3)19(12-16)35(31,32)28-8-10-34-11-9-28/h4-5,12-13,25H,6-11H2,1-3H3,(H,24,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200098 (CHEMBL3930509) Show SMILES COc1ccc(cc1S(=O)(=O)N(C)C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C20H25ClN6O4S/c1-12-19(14-6-7-16(31-5)17(10-14)32(29,30)26(3)4)27-20(24-12)15(11-18(21)25-27)23-9-8-22-13(2)28/h6-7,10-11,23H,8-9H2,1-5H3,(H,22,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200012 (CHEMBL3958915) Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCc3ccnc(CC)c3)cc(Cl)nn12 Show InChI InChI=1S/C26H31ClN6O4S/c1-5-19-11-17(9-10-28-19)14-29-21-13-24(27)31-33-25(16(3)30-26(21)33)18-7-8-22(37-4)23(12-18)38(35,36)32-20(6-2)15-34/h7-13,20,29,32,34H,5-6,14-15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199888 (CHEMBL3976651) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCO)ccn1 Show InChI InChI=1S/C24H27ClN6O4S/c1-4-18-11-16(7-8-26-18)14-27-19-13-22(25)30-31-23(15(2)29-24(19)31)17-5-6-20(35-3)21(12-17)36(33,34)28-9-10-32/h5-8,11-13,27-28,32H,4,9-10,14H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199891 (CHEMBL3920652) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(O)CC2)ccn1 Show InChI InChI=1S/C27H31ClN6O4S/c1-4-20-13-18(7-10-29-20)16-30-22-15-25(28)32-34-26(17(2)31-27(22)34)19-5-6-23(38-3)24(14-19)39(36,37)33-11-8-21(35)9-12-33/h5-7,10,13-15,21,30,35H,4,8-9,11-12,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200000 (CHEMBL3911522) Show SMILES CCC(CO)NS(=O)(=O)c1cc(ccc1OC)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C22H29ClN6O5S/c1-5-16(12-30)28-35(32,33)19-10-15(6-7-18(19)34-4)21-13(2)26-22-17(11-20(23)27-29(21)22)25-9-8-24-14(3)31/h6-7,10-11,16,25,28,30H,5,8-9,12H2,1-4H3,(H,24,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200097 (CHEMBL3939697) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC=C)ccn1 Show InChI InChI=1S/C25H27ClN6O3S/c1-5-10-29-36(33,34)22-13-18(7-8-21(22)35-4)24-16(3)30-25-20(14-23(26)31-32(24)25)28-15-17-9-11-27-19(6-2)12-17/h5,7-9,11-14,28-29H,1,6,10,15H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199889 (CHEMBL3957128) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCN(C)C)ccn1 Show InChI InChI=1S/C26H32ClN7O3S/c1-6-20-13-18(9-10-28-20)16-29-21-15-24(27)32-34-25(17(2)31-26(21)34)19-7-8-22(37-5)23(14-19)38(35,36)30-11-12-33(3)4/h7-10,13-15,29-30H,6,11-12,16H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200004 (CHEMBL3959713) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2cccc(c2)S(=O)(=O)N(C)C)ccn1 Show InChI InChI=1S/C23H25ClN6O2S/c1-5-18-11-16(9-10-25-18)14-26-20-13-21(24)28-30-22(15(2)27-23(20)30)17-7-6-8-19(12-17)33(31,32)29(3)4/h6-13,26H,5,14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200109 (CHEMBL3974986) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCC#C)ccn1 Show InChI InChI=1S/C25H25ClN6O3S/c1-5-10-29-36(33,34)22-13-18(7-8-21(22)35-4)24-16(3)30-25-20(14-23(26)31-32(24)25)28-15-17-9-11-27-19(6-2)12-17/h1,7-9,11-14,28-29H,6,10,15H2,2-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star				J Med Chem 60: 119-127 (2017) Article DOI: 10.1021/acs.jmedchem.6b01466 BindingDB Entry DOI: 10.7270/Q2474CVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199998 (CHEMBL3902513) Show SMILES COc1ccc(cc1S(=O)(=O)N1CCC(CO)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C24H31ClN6O5S/c1-15-23(31-24(28-15)19(13-22(25)29-31)27-9-8-26-16(2)33)18-4-5-20(36-3)21(12-18)37(34,35)30-10-6-17(14-32)7-11-30/h4-5,12-13,17,27,32H,6-11,14H2,1-3H3,(H,26,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200101 (CHEMBL3947384) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NC2CCC(N)CC2)ccn1 |(11.1,-17.02,;11.1,-18.55,;9.77,-19.32,;9.77,-20.86,;8.43,-21.63,;8.43,-23.17,;9.77,-23.94,;9.77,-25.48,;8.43,-26.25,;8.43,-27.79,;7.1,-28.56,;9.77,-28.56,;11.1,-27.79,;12.56,-28.27,;13.48,-27.02,;15.02,-27.02,;12.56,-25.77,;11.1,-26.25,;13.04,-29.73,;12.01,-30.88,;12.48,-32.34,;13.99,-32.66,;14.47,-34.12,;13.44,-35.27,;15.03,-31.52,;14.55,-30.05,;16.53,-31.83,;16.92,-30.34,;18.02,-31.43,;17.22,-33.21,;18.76,-33.29,;19.46,-34.66,;21,-34.74,;21.84,-33.45,;23.38,-33.53,;21.14,-32.07,;19.6,-32,;7.1,-20.86,;7.1,-19.32,;8.43,-18.55,)| Show InChI InChI=1S/C28H34ClN7O3S/c1-4-21-13-18(11-12-31-21)16-32-23-15-26(29)34-36-27(17(2)33-28(23)36)19-5-10-24(39-3)25(14-19)40(37,38)35-22-8-6-20(30)7-9-22/h5,10-15,20,22,32,35H,4,6-9,16,30H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200005 (CHEMBL3929556) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCCOC)ccn1 Show InChI InChI=1S/C25H29ClN6O4S/c1-5-19-12-17(8-9-27-19)15-28-20-14-23(26)31-32-24(16(2)30-25(20)32)18-6-7-21(36-4)22(13-18)37(33,34)29-10-11-35-3/h6-9,12-14,28-29H,5,10-11,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200105 (CHEMBL3894217) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCOCC2)ccn1 Show InChI InChI=1S/C26H29ClN6O4S/c1-4-20-13-18(7-8-28-20)16-29-21-15-24(27)31-33-25(17(2)30-26(21)33)19-5-6-22(36-3)23(14-19)38(34,35)32-9-11-37-12-10-32/h5-8,13-15,29H,4,9-12,16H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200103 (CHEMBL3948449) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)n2cccn2)ccn1 Show InChI InChI=1S/C25H24ClN7O3S/c1-4-19-12-17(8-10-27-19)15-28-20-14-23(26)31-33-24(16(2)30-25(20)33)18-6-7-21(36-3)22(13-18)37(34,35)32-11-5-9-29-32/h5-14,28H,4,15H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200096 (CHEMBL3893537) Show SMILES COc1ccc(cc1S(=O)(=O)NCC=C)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C21H25ClN6O4S/c1-5-8-25-33(30,31)18-11-15(6-7-17(18)32-4)20-13(2)26-21-16(12-19(22)27-28(20)21)24-10-9-23-14(3)29/h5-7,11-12,24-25H,1,8-10H2,2-4H3,(H,23,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199892 (CHEMBL3889874) Show SMILES COc1ccc(cc1S(=O)(=O)NCCO)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 Show InChI InChI=1S/C20H25ClN6O5S/c1-12-19(14-4-5-16(32-3)17(10-14)33(30,31)24-8-9-28)27-20(25-12)15(11-18(21)26-27)23-7-6-22-13(2)29/h4-5,10-11,23-24,28H,6-9H2,1-3H3,(H,22,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199996 (CHEMBL3915835) Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccncc3)cc(Cl)nn12 Show InChI InChI=1S/C21H21ClN6O2S/c1-14-20(16-5-4-6-17(11-16)31(29,30)27(2)3)28-21(25-14)18(12-19(22)26-28)24-13-15-7-9-23-10-8-15/h4-12,24H,13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200007 (CHEMBL3925101) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N(C)C)ccn1 Show InChI InChI=1S/C24H27ClN6O3S/c1-6-18-11-16(9-10-26-18)14-27-19-13-22(25)29-31-23(15(2)28-24(19)31)17-7-8-20(34-5)21(12-17)35(32,33)30(3)4/h7-13,27H,6,14H2,1-5H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50199999 (CHEMBL3986552) Show SMILES COc1ccc(cc1S(=O)(=O)NC1CCC(N)CC1)-c1c(C)nc2c(NCCNC(C)=O)cc(Cl)nn12 |(11.76,-30.3,;12.78,-29.15,;12.29,-27.69,;10.78,-27.38,;10.29,-25.92,;11.32,-24.77,;12.83,-25.08,;13.31,-26.54,;14.81,-26.85,;15.21,-25.35,;16.3,-26.44,;15.39,-28.28,;16.93,-28.33,;17.65,-29.69,;19.18,-29.75,;20,-28.44,;21.54,-28.5,;19.28,-27.08,;17.73,-27.02,;10.83,-23.31,;11.73,-22.06,;13.27,-22.04,;10.82,-20.81,;9.35,-21.3,;8.01,-20.54,;8.01,-19,;6.67,-18.23,;5.34,-19.01,;4,-18.25,;3.99,-16.71,;2.65,-15.95,;5.32,-15.93,;6.69,-21.31,;6.69,-22.85,;5.37,-23.63,;8.04,-23.62,;9.37,-22.84,)| Show InChI InChI=1S/C24H32ClN7O4S/c1-14-23(32-24(29-14)19(13-22(25)30-32)28-11-10-27-15(2)33)16-4-9-20(36-3)21(12-16)37(34,35)31-18-7-5-17(26)6-8-18/h4,9,12-13,17-18,28,31H,5-8,10-11,26H2,1-3H3,(H,27,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Sphingomyelin phosphodiesterase 3 (Homo sapiens)	BDBM50521419 (CHEMBL1342201) Show SMILES COc1cc(cc(OC)c1O)-c1nc(c([nH]1)-c1cccs1)-c1ccccc1 Show InChI InChI=1S/C21H18N2O3S/c1-25-15-11-14(12-16(26-2)20(15)24)21-22-18(13-7-4-3-5-8-13)19(23-21)17-9-6-10-27-17/h3-12,24H,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Czech Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...				J Med Chem 63: 6028-6056 (2020) Article DOI: 10.1021/acs.jmedchem.0c00278 BindingDB Entry DOI: 10.7270/Q2862M0C
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200100 (CHEMBL3905730) Show SMILES Cl.CN(C)S(=O)(=O)c1cccc(c1)-c1c(C)nc2c(NCc3ccnc(C)c3)cc(Cl)nn12 Show InChI InChI=1S/C22H23ClN6O2S/c1-14-10-16(8-9-24-14)13-25-19-12-20(23)27-29-21(15(2)26-22(19)29)17-6-5-7-18(11-17)32(30,31)28(3)4/h5-12,25H,13H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200108 (CHEMBL3966476) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)NCc2cn(CCCNC(=O)c3ccc4C(=O)OC5(c4c3)c3ccc(O)cc3Oc3cc(O)ccc53)nn2)ccn1 Show InChI InChI=1S/C49H43ClN10O9S/c1-4-31-18-28(14-16-51-31)24-53-39-23-44(50)57-60-45(27(2)55-46(39)60)29-7-13-40(67-3)43(20-29)70(65,66)54-25-32-26-59(58-56-32)17-5-15-52-47(63)30-6-10-35-38(19-30)49(69-48(35)64)36-11-8-33(61)21-41(36)68-42-22-34(62)9-12-37(42)49/h6-14,16,18-23,26,53-54,61-62H,4-5,15,17,24-25H2,1-3H3,(H,52,63)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of 6xHisGB1 tagged PI4KB (unknown origin) expressed in Escherichia coli BL21 Star				J Med Chem 60: 119-127 (2017) Article DOI: 10.1021/acs.jmedchem.6b01466 BindingDB Entry DOI: 10.7270/Q2474CVJ
					More data for this Ligand-Target Pair
Phosphatidylinositol 4-kinase beta (Homo sapiens (Human))	BDBM50200104 (CHEMBL3969997) Show SMILES CCc1cc(CNc2cc(Cl)nn3c(c(C)nc23)-c2ccc(OC)c(c2)S(=O)(=O)N2CCC(CO)CC2)ccn1 Show InChI InChI=1S/C28H33ClN6O4S/c1-4-22-13-20(7-10-30-22)16-31-23-15-26(29)33-35-27(18(2)32-28(23)35)21-5-6-24(39-3)25(14-21)40(37,38)34-11-8-19(17-36)9-12-34/h5-7,10,13-15,19,31,36H,4,8-9,11-12,16-17H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Academy of Sciences of the Czech Republic Curated by ChEMBL					Assay Description Inhibition of PI4KB (unknown origin) by ADP-Glo kinase assay				J Med Chem 60: 100-118 (2017) Article DOI: 10.1021/acs.jmedchem.6b01465 BindingDB Entry DOI: 10.7270/Q28054K8
					More data for this Ligand-Target Pair

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