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Compile Data Set for Download or QSAR

Found 174 hits with Last Name = 'nagasawa' and Initial = 'k'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Androgen receptor


(Homo sapiens (Human))
BDBM50170576
PNG
(1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3
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1.17E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50131270
PNG
(2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]prop...)
Show SMILES CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
Show InChI InChI=1S/C11H11F3N2O3/c1-6(2)10(17)15-7-3-4-9(16(18)19)8(5-7)11(12,13)14/h3-6H,1-2H3,(H,15,17)
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1.30E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity against GST-hARLBD was measured in SC-3 cell by using [3H]-testosterone as radioligand


Bioorg Med Chem Lett 13: 2655-8 (2003)


BindingDB Entry DOI: 10.7270/Q26D5SDD
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50170573
PNG
(3-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H43NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,26,29-32H,8-9,16-18H2,1-7H3
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1.51E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50170578
PNG
(1-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C30H45NO3/c1-10-30(11-2,23-12-14-25(21(3)18-23)31-17-16-29(8,9)33)24-13-15-26(22(4)19-24)34-20-27(32)28(5,6)7/h12-15,18-19,31,33H,10-11,16-17,20H2,1-9H3
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2.90E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen receptor


(Homo sapiens (Human))
BDBM50170582
PNG
(4-(4-{1-Ethyl-1-[4-(3-hydroxy-3-methyl-butylamino)...)
Show SMILES CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1
Show InChI InChI=1S/C29H46N2O2/c1-9-29(10-2,23-11-13-25(21(3)19-23)30-17-15-27(5,6)32)24-12-14-26(22(4)20-24)31-18-16-28(7,8)33/h11-14,19-20,30-33H,9-10,15-18H2,1-8H3
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3.38E+3n/an/an/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Binding affinity to androgen receptor by incubation with GST-hARLBD and [3H]-testosterone


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Gallus gallus)
BDBM50145539
PNG
((2S,4R)-2,4-Dihydroxy-6-[2-[(R)-1-((R)-5-hydroxy-1...)
Show SMILES C[C@H](CCCC(C)(C)O)C1CCC2C(CCC[C@]12C)=CCC1C[C@@H](O)CC(=O)C1=O |w:19.21|
Show InChI InChI=1S/C26H42O4/c1-17(7-5-13-25(2,3)30)21-11-12-22-18(8-6-14-26(21,22)4)9-10-19-15-20(27)16-23(28)24(19)29/h9,17,19-22,27,30H,5-8,10-16H2,1-4H3/t17-,19?,20-,21?,22?,26-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.076
BindingDB Entry DOI: 10.7270/Q20C4V6Z
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50088679
PNG
(2-Phenyl-isoindole-1,3-dione | 2-phenyl-1H-isoindo...)
Show SMILES O=C1N(C(=O)c2ccccc12)c1ccccc1
Show InChI InChI=1S/C14H9NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h1-9H
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50066441
PNG
(2-(2,6-Dimethyl-phenyl)-isoindole-1,3-dione | 2-(2...)
Show SMILES Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C16H13NO2/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(17)19/h3-9H,1-2H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA1) against Prostaglandin G/H synthase 1 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50219329
PNG
(CHEMBL8968)
Show SMILES Cc1ccccc1N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C15H11NO2/c1-10-6-2-5-9-13(10)16-14(17)11-7-3-4-8-12(11)15(16)18/h2-9H,1H3
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n/an/a<1n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Gallus gallus)
BDBM50145538
PNG
((S)-1-Benzyl-5-((R)-2-{(R)-4-[2-[(3S,5R)-3,5-dihyd...)
Show SMILES C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C34H47NO4/c1-22(17-27-20-34(4,39)32(38)35(27)21-24-9-6-5-7-10-24)29-14-15-30-25(11-8-16-33(29,30)3)12-13-26-18-28(36)19-31(37)23(26)2/h5-7,9-10,12-13,22,27-31,36-37,39H,2,8,11,14-21H2,1,3-4H3/b25-12-,26-13+/t22-,27+,28-,29?,30?,31+,33-,34+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.076
BindingDB Entry DOI: 10.7270/Q20C4V6Z
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50170576
PNG
(1-(4-{1-[4-(2,3-Dihydroxy-propylamino)-3-methyl-ph...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H41NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,29-31H,8-9,16-18H2,1-7H3
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n/an/a 7.60n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50170573
PNG
(3-(4-{1-Ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)...)
Show SMILES CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H43NO4/c1-8-28(9-2,21-10-12-24(19(3)14-21)29-16-23(31)17-30)22-11-13-25(20(4)15-22)33-18-26(32)27(5,6)7/h10-15,23,26,29-32H,8-9,16-18H2,1-7H3
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n/an/a 9n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152041
PNG
(US8987473, 122)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C18H16Cl2N2O2/c1-11-13-7-5-12(6-8-18(23)24)9-17(13)22(21-11)10-14-15(19)3-2-4-16(14)20/h2-5,7,9H,6,8,10H2,1H3,(H,23,24)
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n/an/a 10n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Gallus gallus)
BDBM50145540
PNG
((S)-5-((R)-2-{(R)-4-[2-[(3S,5R)-3,5-Dihydroxy-2-me...)
Show SMILES C[C@H](C[C@H]1C[C@](C)(O)C(=O)N1C)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C28H43NO4/c1-17(13-21-16-28(4,33)26(32)29(21)5)23-10-11-24-19(7-6-12-27(23,24)3)8-9-20-14-22(30)15-25(31)18(20)2/h8-9,17,21-25,30-31,33H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21+,22-,23?,24?,25+,27-,28+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.076
BindingDB Entry DOI: 10.7270/Q20C4V6Z
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152051
PNG
(US8987473, 137)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=S)o3)ccc12
Show InChI InChI=1S/C18H14Cl2N4OS/c1-10-12-6-5-11(8-17-21-22-18(26)25-17)7-16(12)24(23-10)9-13-14(19)3-2-4-15(13)20/h2-7H,8-9H2,1H3,(H,22,26)
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n/an/a 10n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50111216
PNG
(5-Amino-2-((R)-3-methyl-2,6-dioxo-piperidin-3-yl)-...)
Show SMILES C[C@]1(CCC(=O)NC1=O)N1C(=O)c2ccc(N)cc2C1=O
Show InChI InChI=1S/C14H13N3O4/c1-14(5-4-10(18)16-13(14)21)17-11(19)8-3-2-7(15)6-9(8)12(17)20/h2-3,6H,4-5,15H2,1H3,(H,16,18,21)/t14-/m1/s1
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n/an/a<10n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inhibitory activity (RA2) against Prostaglandin G/H synthase 2 was calculated relative to aspirin


Bioorg Med Chem Lett 12: 1043-6 (2002)


BindingDB Entry DOI: 10.7270/Q28K78D9
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152048
PNG
(US8987473, 134)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3nnn[nH]3)ccc12
Show InChI InChI=1S/C17H14Cl2N6/c1-10-12-6-5-11(8-17-20-23-24-21-17)7-16(12)25(22-10)9-13-14(18)3-2-4-15(13)19/h2-7H,8-9H2,1H3,(H,20,21,23,24)
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n/an/a 13n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152079
PNG
(US8987473, 183)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(F)(F)C(O)=O
Show InChI InChI=1S/C17H12Cl2F2N2O2/c1-9-11-6-5-10(17(20,21)16(24)25)7-15(11)23(22-9)8-12-13(18)3-2-4-14(12)19/h2-7H,8H2,1H3,(H,24,25)
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n/an/a 15n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152017
PNG
(US8987473, 82)
Show SMILES Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C18H15Cl2NO2/c1-11-9-21(10-14-15(19)3-2-4-16(14)20)17-7-12(8-18(22)23)5-6-13(11)17/h2-7,9H,8,10H2,1H3,(H,22,23)
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n/an/a 15n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152047
PNG
(US8987473, 133)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCCC(O)=O)ccc12
Show InChI InChI=1S/C19H18Cl2N2O2/c1-12-14-9-8-13(4-2-7-19(24)25)10-18(14)23(22-12)11-15-16(20)5-3-6-17(15)21/h3,5-6,8-10H,2,4,7,11H2,1H3,(H,24,25)
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n/an/a 16n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152080
PNG
(US8987473, 185)
Show SMILES Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C21H21ClN2O2/c1-13-16-9-5-14(6-10-21(25)26)11-20(16)24(23-13)12-18-17(15-7-8-15)3-2-4-19(18)22/h2-5,9,11,15H,6-8,10,12H2,1H3,(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152026
PNG
(US8987473, 97)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-12-6-5-11(8-17(22)23)7-16(12)21(20-10)9-13-14(18)3-2-4-15(13)19/h2-7H,8-9H2,1H3,(H,22,23)
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n/an/a 18n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152016
PNG
(US8987473, 80)
Show SMILES Cc1cccc(C)c1CN1CC(C)(C)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C21H25NO2/c1-14-6-5-7-15(2)17(14)12-22-13-21(3,4)18-9-8-16(10-19(18)22)11-20(23)24/h5-10H,11-13H2,1-4H3,(H,23,24)
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n/an/a 18n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Androgen receptor


(Mus musculus)
BDBM50329704
PNG
((R)-3-(4-(3-(4-((R)-2-hydroxy-3,3-dimethylbutoxy)-...)
Show SMILES CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
Show InChI InChI=1S/C28H42O5/c1-8-28(9-2,21-10-12-24(19(3)14-21)32-17-23(30)16-29)22-11-13-25(20(4)15-22)33-18-26(31)27(5,6)7/h10-15,23,26,29-31H,8-9,16-18H2,1-7H3/t23-,26+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Androgen antagonistic activity as inhibitory concentration against testosterone-induced SC-3 cell proliferation


Bioorg Med Chem Lett 15: 4327-31 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.044
BindingDB Entry DOI: 10.7270/Q2SX6CS6
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152011
PNG
(US8987473, 64)
Show SMILES Cc1cn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C20H21NO2/c1-13-5-4-6-14(2)18(13)12-21-11-15(3)17-8-7-16(9-19(17)21)10-20(22)23/h4-9,11H,10,12H2,1-3H3,(H,22,23)
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n/an/a 22n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152049
PNG
(US8987473, 135)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCc3nnn[nH]3)ccc12
Show InChI InChI=1S/C18H16Cl2N6/c1-11-13-7-5-12(6-8-18-21-24-25-22-18)9-17(13)26(23-11)10-14-15(19)3-2-4-16(14)20/h2-5,7,9H,6,8,10H2,1H3,(H,21,22,24,25)
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n/an/a 23n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152023
PNG
(US8987473, 89)
Show SMILES Cc1cn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C19H17Cl2NO2/c1-12-10-22(11-15-16(20)3-2-4-17(15)21)18-9-13(5-7-14(12)18)6-8-19(23)24/h2-5,7,9-10H,6,8,11H2,1H3,(H,23,24)
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n/an/a 23n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152015
PNG
(US8987473, 78)
Show SMILES CC1CN(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C20H23NO2/c1-13-5-4-6-14(2)18(13)12-21-11-15(3)17-8-7-16(9-19(17)21)10-20(22)23/h4-9,15H,10-12H2,1-3H3,(H,22,23)
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n/an/a 24n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152054
PNG
(US8987473, 140)
Show SMILES CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C18H16Cl2N2O2/c1-2-16-12-7-6-11(9-18(23)24)8-17(12)22(21-16)10-13-14(19)4-3-5-15(13)20/h3-8H,2,9-10H2,1H3,(H,23,24)
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n/an/a 24n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152058
PNG
(US8987473, 145)
Show SMILES CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C19H18Cl2N2O2/c1-2-17-13-8-6-12(7-9-19(24)25)10-18(13)23(22-17)11-14-15(20)4-3-5-16(14)21/h3-6,8,10H,2,7,9,11H2,1H3,(H,24,25)
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n/an/a 26n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152020
PNG
(US8987473, 86)
Show SMILES Cc1cn(Cc2c(F)cccc2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C18H15ClFNO2/c1-11-9-21(10-14-15(19)3-2-4-16(14)20)17-7-12(8-18(22)23)5-6-13(11)17/h2-7,9H,8,10H2,1H3,(H,22,23)
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n/an/a 28n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Gallus gallus)
BDBM50404242
PNG
(CHEMBL2114211)
Show SMILES C[C@H](C[C@@H]1C[C@@](C)(O)C(=O)N1Cc1ccccc1)C1CCC2\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C
Show InChI InChI=1S/C34H47NO4/c1-22(17-27-20-34(4,39)32(38)35(27)21-24-9-6-5-7-10-24)29-14-15-30-25(11-8-16-33(29,30)3)12-13-26-18-28(36)19-31(37)23(26)2/h5-7,9-10,12-13,22,27-31,36-37,39H,2,8,11,14-21H2,1,3-4H3/b25-12-,26-13+/t22-,27-,28-,29?,30?,31+,33-,34-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.076
BindingDB Entry DOI: 10.7270/Q20C4V6Z
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152013
PNG
(US8987473, 68)
Show SMILES Cc1cccc(C)c1Cn1cc(Cl)c2ccc(CC(O)=O)cc12
Show InChI InChI=1S/C19H18ClNO2/c1-12-4-3-5-13(2)16(12)10-21-11-17(20)15-7-6-14(8-18(15)21)9-19(22)23/h3-8,11H,9-10H2,1-2H3,(H,22,23)
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n/an/a 30n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152042
PNG
(US8987473, 124)
Show SMILES Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C20H17ClN2O2S/c1-12-16-5-2-13(3-7-20(24)25)8-18(16)23(22-12)10-14-11-26-19-6-4-15(21)9-17(14)19/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,24,25)
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n/an/a 31n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152050
PNG
(US8987473, 136)
Show SMILES Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(Cc3n[nH]c(=O)o3)ccc12
Show InChI InChI=1S/C18H14Cl2N4O2/c1-10-12-6-5-11(8-17-21-22-18(25)26-17)7-16(12)24(23-10)9-13-14(19)3-2-4-15(13)20/h2-7H,8-9H2,1H3,(H,22,25)
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n/an/a 34n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152056
PNG
(US8987473, 143)
Show SMILES CCc1nn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C19H20N2O2/c1-4-17-15-9-8-14(19(22)23)10-18(15)21(20-17)11-16-12(2)6-5-7-13(16)3/h5-10H,4,11H2,1-3H3,(H,22,23)
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n/an/a 35n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152040
PNG
(US8987473, 121)
Show SMILES Cc1nn(Cc2c(C)cccc2C)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C20H22N2O2/c1-13-5-4-6-14(2)18(13)12-22-19-11-16(8-10-20(23)24)7-9-17(19)15(3)21-22/h4-7,9,11H,8,10,12H2,1-3H3,(H,23,24)
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n/an/a 41n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152027
PNG
(US8987473, 99)
Show SMILES Cc1nn(Cc2cccc(Cl)c2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C17H14Cl2N2O2/c1-10-13-6-5-11(8-16(22)23)7-15(13)21(20-10)9-12-3-2-4-14(18)17(12)19/h2-7H,8-9H2,1H3,(H,22,23)
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n/an/a 41n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152057
PNG
(US8987473, 144)
Show SMILES CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C17H14Cl2N2O2/c1-2-15-11-7-6-10(17(22)23)8-16(11)21(20-15)9-12-13(18)4-3-5-14(12)19/h3-8H,2,9H2,1H3,(H,22,23)
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n/an/a 42n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152024
PNG
(US8987473, 91)
Show SMILES CCc1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C20H21NO2/c1-4-15-11-21(12-18-13(2)6-5-7-14(18)3)19-10-16(20(22)23)8-9-17(15)19/h5-11H,4,12H2,1-3H3,(H,22,23)
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n/an/a 43n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152010
PNG
(US8987473, 61)
Show SMILES Cc1cn(Cc2c(C)cccc2C)c2cc(ccc12)C(O)=O
Show InChI InChI=1S/C19H19NO2/c1-12-5-4-6-13(2)17(12)11-20-10-14(3)16-8-7-15(19(21)22)9-18(16)20/h4-10H,11H2,1-3H3,(H,21,22)
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n/an/a 46n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152061
PNG
(US8987473, 148)
Show SMILES OC(=O)Cc1ccc2c(nn(Cc3c(Cl)cccc3Cl)c2c1)C1CC1
Show InChI InChI=1S/C19H16Cl2N2O2/c20-15-2-1-3-16(21)14(15)10-23-17-8-11(9-18(24)25)4-7-13(17)19(22-23)12-5-6-12/h1-4,7-8,12H,5-6,9-10H2,(H,24,25)
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n/an/a 49n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152055
PNG
(US8987473, 142)
Show SMILES CCc1nn(Cc2c(C)cccc2C)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C20H22N2O2/c1-4-18-16-9-8-15(11-20(23)24)10-19(16)22(21-18)12-17-13(2)6-5-7-14(17)3/h5-10H,4,11-12H2,1-3H3,(H,23,24)
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n/an/a 50n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Vitamin D3 receptor


(Gallus gallus)
BDBM50404243
PNG
(CHEMBL2114212 | CHEMBL3350688)
Show SMILES [H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C/C=C1\C[C@@H](O)C[C@H](O)C1=C)[C@H](C)C[C@@H]1C[C@@](C)(O)C(=O)N1C
Show InChI InChI=1S/C28H43NO4/c1-17(13-21-16-28(4,33)26(32)29(21)5)23-10-11-24-19(7-6-12-27(23,24)3)8-9-20-14-22(30)15-25(31)18(20)2/h8-9,17,21-25,30-31,33H,2,6-7,10-16H2,1,3-5H3/b19-8-,20-9+/t17-,21-,22-,23?,24?,25+,27-,28-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



University of Tokyo

Curated by ChEMBL


Assay Description
In vitro relative binding affinity for chick intestinal vitamin D3 receptor compared to [3H]-1


Bioorg Med Chem Lett 14: 2579-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.076
BindingDB Entry DOI: 10.7270/Q20C4V6Z
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152078
PNG
(US8987473, 182)
Show SMILES CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(ccc12)-c1nnn[nH]1
Show InChI InChI=1S/C17H14Cl2N6/c1-2-15-11-7-6-10(17-20-23-24-21-17)8-16(11)25(22-15)9-12-13(18)4-3-5-14(12)19/h3-8H,2,9H2,1H3,(H,20,21,23,24)
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n/an/a 52n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152073
PNG
(US8987473, 171)
Show SMILES CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(cnc12)-c1nnn[nH]1
Show InChI InChI=1S/C16H13Cl2N7/c1-2-13-15-14(6-9(7-19-15)16-20-23-24-21-16)25(22-13)8-10-11(17)4-3-5-12(10)18/h3-7H,2,8H2,1H3,(H,20,21,23,24)
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n/an/a 52n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM152028
PNG
(US8987473, 102)
Show SMILES Cc1nn(Cc2c(C)cccc2Cl)c2cc(CC(O)=O)ccc12
Show InChI InChI=1S/C18H17ClN2O2/c1-11-4-3-5-16(19)15(11)10-21-17-8-13(9-18(22)23)6-7-14(17)12(2)20-21/h3-8H,9-10H2,1-2H3,(H,22,23)
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n/an/a 52n/an/an/an/an/an/a



Sato Pharmaceutical Co., Ltd.

US Patent


Assay Description
It was introduced human URAT1 full-length cDNA into an expression vector pcDNA5 / FRT / V5-His TOPO (registered trademark) (Invitrogen). The result...


US Patent US8987473 (2015)


BindingDB Entry DOI: 10.7270/Q23F4NCB
More data for this
Ligand-Target Pair
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