lovingscience/chembl-v37-raw-activities huggingface dataset:
Compound (SMILES): Cc1cn(Cc2c(F)cccc2Cl)c2cc(CC(=O)O)ccc12
InChIKey: YTSVTMDRMAJBRL-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 28 nM (pChEMBL 7.550000190734863)
Descriptors: MW 331.77, ALogP 4.42, HBA 2, HBD 1, PSA 42.23, QED 0.77
Compound (SMILES): Cc1cn(Cc2ccccc2Cl)c2cc(CC(=O)O)ccc12
InChIKey: GKJAAGDBMPGZBB-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 88 nM (pChEMBL 7.059999942779541)
Descriptors: MW 313.78, ALogP 4.28, HBA 2, HBD 1, PSA 42.23, QED 0.78
Compound (SMILES): Cc1cn(Cc2cc3c(cc2Cl)OCO3)c2cc(CC(=O)O)ccc12
InChIKey: VTJVPTHADLRMSL-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 357.79, ALogP 4.01, HBA 4, HBD 1, PSA 60.69, QED 0.77
Compound (SMILES): Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CCC(=O)O)ccc12
InChIKey: KBOZMSFFJGFCMH-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 362.26, ALogP 5.32, HBA 2, HBD 1, PSA 42.23, QED 0.67
Compound (SMILES): CCc1cn(Cc2c(C)cccc2C)c2cc(C(=O)O)ccc12
InChIKey: UCAJMKKVUWHJLK-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 43 nM (pChEMBL 7.369999885559082)
Descriptors: MW 307.39, ALogP 4.57, HBA 2, HBD 1, PSA 42.23, QED 0.77
Compound (SMILES): Cc1cccc(C)c1Cn1cc(C(C)C)c2ccc(C(=O)O)cc21
InChIKey: VVLNQBUFMSBIMF-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 71 nM (pChEMBL 7.150000095367432)
Descriptors: MW 321.42, ALogP 5.13, HBA 2, HBD 1, PSA 42.23, QED 0.72
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(=O)O)ccc12
InChIKey: POZMFUCEDVKJET-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 18 nM (pChEMBL 7.75)
Descriptors: MW 349.22, ALogP 4.33, HBA 3, HBD 1, PSA 55.12, QED 0.76
Compound (SMILES): Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(CC(=O)O)ccc12
InChIKey: FSJQUSZJKNWCRO-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 349.22, ALogP 4.33, HBA 3, HBD 1, PSA 55.12, QED 0.76
Compound (SMILES): Cc1cccc(Cl)c1Cn1nc(C)c2ccc(CC(=O)O)cc21
InChIKey: UWKOVYZHOSMSSW-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 52 nM (pChEMBL 7.28000020980835)
Descriptors: MW 328.8, ALogP 3.98, HBA 3, HBD 1, PSA 55.12, QED 0.79
Compound (SMILES): Cc1nn(Cc2c(F)cccc2Cl)c2cc(CC(=O)O)ccc12
InChIKey: UNSPLLJKFQPIRX-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 101 nM (pChEMBL 7)
Descriptors: MW 332.76, ALogP 3.81, HBA 3, HBD 1, PSA 55.12, QED 0.79
Compound (SMILES): Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CC(=O)O)ccc12
InChIKey: SZUPNJNHLRGASI-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 55 nM (pChEMBL 7.260000228881836)
Descriptors: MW 370.86, ALogP 4.89, HBA 4, HBD 1, PSA 55.12, QED 0.56
Compound (SMILES): Cc1nn(Cc2cccc3ccccc23)c2cc(CC(=O)O)ccc12
InChIKey: MKVPAQJWGDFDNS-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 77 nM (pChEMBL 7.110000133514404)
Descriptors: MW 330.39, ALogP 4.17, HBA 3, HBD 1, PSA 55.12, QED 0.61
Compound (SMILES): Cc1cc(C)c(Cn2nc(C)c3ccc(CC(=O)O)cc32)c(C)c1
InChIKey: BJDROGLKPJEXEV-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 94 nM (pChEMBL 7.03000020980835)
Descriptors: MW 322.41, ALogP 3.95, HBA 3, HBD 1, PSA 55.12, QED 0.79
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CC(=O)O)ccc12
InChIKey: HZHULGSQZAOFMV-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 335 nM (pChEMBL 6.46999979019165)
Descriptors: MW 339.78, ALogP 3.55, HBA 4, HBD 1, PSA 78.91, QED 0.79
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(C)C(=O)O)ccc12
InChIKey: SWCINCQJQPUTBV-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 75 nM (pChEMBL 7.119999885559082)
Descriptors: MW 363.24, ALogP 4.89, HBA 3, HBD 1, PSA 55.12, QED 0.72
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(C)(C)C(=O)O)ccc12
InChIKey: XMSKNJFTQPTISW-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 98 nM (pChEMBL 7.010000228881836)
Descriptors: MW 377.27, ALogP 5.06, HBA 3, HBD 1, PSA 55.12, QED 0.69
Compound (SMILES): Cc1nn(Cc2cccc3cccnc23)c2cc(CC(=O)O)ccc12
InChIKey: MLBCZWYCVXKRCT-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 394 nM (pChEMBL 6.409999847412109)
Descriptors: MW 331.38, ALogP 3.57, HBA 4, HBD 1, PSA 68.01, QED 0.62
Compound (SMILES): Cc1cccc(C)c1Cn1nc(C)c2ccc(C(=O)O)cc21
InChIKey: PFQADMQBKHLZBV-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 294.35, ALogP 3.71, HBA 3, HBD 1, PSA 55.12, QED 0.8
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)O)ccc12
InChIKey: LDMHYQSTTSDYDK-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 65 nM (pChEMBL 7.190000057220459)
Descriptors: MW 335.19, ALogP 4.4, HBA 3, HBD 1, PSA 55.12, QED 0.77
Compound (SMILES): Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(C(=O)O)ccc12
InChIKey: HMAUVMPQIUHXNP-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 91 nM (pChEMBL 7.039999961853027)
Descriptors: MW 335.19, ALogP 4.4, HBA 3, HBD 1, PSA 55.12, QED 0.77
Compound (SMILES): Cc1cccc(C)c1Cn1nc(C)c2ccc(CCC(=O)O)cc21
InChIKey: MGGCIUHDVBAALX-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 41 nM (pChEMBL 7.389999866485596)
Descriptors: MW 322.41, ALogP 4.03, HBA 3, HBD 1, PSA 55.12, QED 0.77
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(=O)O)ccc12
InChIKey: BULHKEFXUJOWAE-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 363.24, ALogP 4.72, HBA 3, HBD 1, PSA 55.12, QED 0.71
Compound (SMILES): Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CCC(=O)O)ccc12
InChIKey: ZRQLKFDHIHSQAR-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 31 nM (pChEMBL 7.510000228881836)
Descriptors: MW 384.89, ALogP 5.28, HBA 4, HBD 1, PSA 55.12, QED 0.51
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2C#N)c2cc(CCC(=O)O)ccc12
InChIKey: VHJPFSADZOAYDR-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 72 nM (pChEMBL 7.139999866485596)
Descriptors: MW 353.81, ALogP 3.94, HBA 4, HBD 1, PSA 78.91, QED 0.75
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(O)C(=O)O)ccc12
InChIKey: COMMJBCZODQDSY-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 576 nM (pChEMBL 6.239999771118164)
Descriptors: MW 365.22, ALogP 3.82, HBA 4, HBD 2, PSA 75.35, QED 0.74
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(C(=O)CCC(=O)O)ccc12
InChIKey: VKGMTJSOJMGKOY-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 68 nM (pChEMBL 7.170000076293945)
Descriptors: MW 391.25, ALogP 4.75, HBA 4, HBD 1, PSA 72.19, QED 0.62
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(N)=O)ccc12
InChIKey: YDGPTJQLYSGPNO-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 186 nM (pChEMBL 6.730000019073486)
Descriptors: MW 362.26, ALogP 4.12, HBA 3, HBD 1, PSA 60.91, QED 0.74
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCCC(=O)O)ccc12
InChIKey: HNIXVNBDQNRZAC-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 16 nM (pChEMBL 7.800000190734863)
Descriptors: MW 377.27, ALogP 5.11, HBA 3, HBD 1, PSA 55.12, QED 0.65
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3nnn[nH]3)ccc12
InChIKey: DEEJHEPZVXORGD-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 13 nM (pChEMBL 7.889999866485596)
Descriptors: MW 373.25, ALogP 3.8, HBA 5, HBD 1, PSA 72.28, QED 0.59
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCc3nnn[nH]3)ccc12
InChIKey: XPYZCSRWUFNZQY-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 23 nM (pChEMBL 7.639999866485596)
Descriptors: MW 387.27, ALogP 4, HBA 5, HBD 1, PSA 72.28, QED 0.56
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=O)o3)ccc12
InChIKey: BSFABYLFQUOQOH-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 34 nM (pChEMBL 7.46999979019165)
Descriptors: MW 389.24, ALogP 3.97, HBA 5, HBD 1, PSA 76.71, QED 0.57
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=S)o3)ccc12
InChIKey: VGHIWJDPXWKRGH-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 10 nM (pChEMBL 8)
Descriptors: MW 405.31, ALogP 5.34, HBA 5, HBD 1, PSA 59.64, QED 0.47
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(OCC(=O)O)ccc12
InChIKey: JWGZWKLPZDFKBD-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 916 nM (pChEMBL 6.039999961853027)
Descriptors: MW 365.22, ALogP 4.16, HBA 4, HBD 1, PSA 64.35, QED 0.74
Compound (SMILES): Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CS(=O)(=O)O)ccc12
InChIKey: SQOCZJZIMBWQTM-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 653 nM (pChEMBL 6.179999828338623)
Descriptors: MW 385.27, ALogP 4.09, HBA 4, HBD 1, PSA 72.19, QED 0.69
Compound (SMILES): CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(=O)O)ccc12
InChIKey: RNHPNYFZQWSPEA-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 24 nM (pChEMBL 7.619999885559082)
Descriptors: MW 363.24, ALogP 4.58, HBA 3, HBD 1, PSA 55.12, QED 0.72
Compound (SMILES): CCc1nn(Cc2c(C)cccc2C)c2cc(CC(=O)O)ccc12
InChIKey: MMQFTZZVWPKEGP-UHFFFAOYSA-N
Target: Solute carrier family 22 member 12 (SINGLE PROTEIN), Homo sapiens
UniProt: Q96S37
Assay: Inhibition Assay: It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The resulting expression plasmids, the liposome method using Lipofectamine LTX (Invitrogen), Chinese hamster ovary cells (hereinafter, referred to as CHO cells) was introduced into, by culturing in a selective medium containing hygromycin and human URAT1 stable The expression cell line we were prepared.Human URAT1 expression CHO cells, 10% fetal calf serum, D-MEM / F-12 containing the hygromycin (1: 1) using a mixed medium, 37 C, were cultured in the presence of 5% CO2. Cells were seeded in 96-well plates (Corning Incorporated) in 0.8x10E+5 cells / well, were subjected to the following uric acid transport inhibition test after 24 hours.After removal of the medium by aspiration, sodium gluconate of cells 125mM, potassium gluconate of 4.8mM, potassium dihydrogen phosphate of 1.2mM, magnesium sulfate of 1.2mM, calcium gluconate of 1.3mM, 5. washed once.
Measurement: IC50 = 50 nM (pChEMBL 7.300000190734863)
Descriptors: MW 322.41, ALogP 3.89, HBA 3, HBD 1, PSA 55.12, QED 0.78