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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'hirano' and Initial = 'm'   
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
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290875
PNG
((S)-13-Hydroxymethyl-10-((S)-isopropyl)-3,9,12-tri...)
Show SMILES CC(C)[C@@H]1Nc2cccc3[nH]cc(C[C@@H](CO)NC1=O)c23
Show InChI InChI=1S/C16H21N3O2/c1-9(2)15-16(21)18-11(8-20)6-10-7-17-12-4-3-5-13(19-15)14(10)12/h3-5,7,9,11,15,17,19-20H,6,8H2,1-2H3,(H,18,21)/t11-,15-/m0/s1
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C delta


Bioorg Med Chem Lett 7: 2997-3000 (1997)


Article DOI: 10.1016/S0960-894X(97)10129-9
BindingDB Entry DOI: 10.7270/Q2RF5V05
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290877
PNG
((3S,6S)-6-Hydroxymethyl-3-isopropyl-4-tetradecyl-p...)
Show SMILES CCCCCCCCCCCCCCN1C[C@@H](CO)NC(=O)[C@@H]1C(C)C
Show InChI InChI=1S/C22H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-20(18-25)23-22(26)21(24)19(2)3/h19-21,25H,4-18H2,1-3H3,(H,23,26)/t20-,21-/m0/s1
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290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C delta


Bioorg Med Chem Lett 7: 2997-3000 (1997)


Article DOI: 10.1016/S0960-894X(97)10129-9
BindingDB Entry DOI: 10.7270/Q2RF5V05
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290876
PNG
((3S,6R)-6-Hydroxymethyl-3-isopropyl-4-tetradecyl-p...)
Show SMILES CCCCCCCCCCCCCCN1C[C@H](CO)NC(=O)[C@@H]1C(C)C
Show InChI InChI=1S/C22H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-20(18-25)23-22(26)21(24)19(2)3/h19-21,25H,4-18H2,1-3H3,(H,23,26)/t20-,21+/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C delta


Bioorg Med Chem Lett 7: 2997-3000 (1997)


Article DOI: 10.1016/S0960-894X(97)10129-9
BindingDB Entry DOI: 10.7270/Q2RF5V05
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290874
PNG
((3R,6S)-6-Hydroxymethyl-3-isopropyl-4-tetradecyl-p...)
Show SMILES CCCCCCCCCCCCCCN1C[C@@H](CO)NC(=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-20(18-25)23-22(26)21(24)19(2)3/h19-21,25H,4-18H2,1-3H3,(H,23,26)/t20-,21+/m0/s1
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6.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C delta


Bioorg Med Chem Lett 7: 2997-3000 (1997)


Article DOI: 10.1016/S0960-894X(97)10129-9
BindingDB Entry DOI: 10.7270/Q2RF5V05
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1 |r|
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
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7.57E+3n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86707
PNG
(CAS_147511-69-1 | Pitavastatin)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86707
PNG
(CAS_147511-69-1 | Pitavastatin)
Show SMILES O[C@H](C[C@H](O)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1)CC(O)=O |r|
Show InChI InChI=1S/C25H24FNO4/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31/h1-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31)/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86705
PNG
(CAS_141750-63-2 | Pitavastatin lactone)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 |r|
Show InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86705
PNG
(CAS_141750-63-2 | Pitavastatin lactone)
Show SMILES O[C@@H]1C[C@H](OC(=O)C1)\C=C\c1c(nc2ccccc2c1-c1ccc(F)cc1)C1CC1 |r|
Show InChI InChI=1S/C25H22FNO3/c26-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-19-13-18(28)14-23(29)30-19/h1-4,7-12,16,18-19,28H,5-6,13-14H2/b12-11+/t18-,19-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES [H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |r,c:6,9|
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86706
PNG
(Pravastatin lactone)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |c:13,t:11|
Show InChI InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O |r|
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES [H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)C(C)(C)CC |r,c:6,9|
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50139181
PNG
((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM50139181
PNG
((1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotet...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:14,t:12|
Show InChI InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM86704
PNG
(CAS_93957-54-1 | Fluvastatin | cid_446155)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM86704
PNG
(CAS_93957-54-1 | Fluvastatin | cid_446155)
Show SMILES CC(C)n1c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12 |r|
Show InChI InChI=1S/C24H26FNO4/c1-15(2)26-21-6-4-3-5-20(21)24(16-7-9-17(25)10-8-16)22(26)12-11-18(27)13-19(28)14-23(29)30/h3-12,15,18-19,27-28H,13-14H2,1-2H3,(H,29,30)/b12-11+/t18-,19-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C |r|
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile Salt Export Pump, BSEP


(Rattus norvegicus)
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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University of Tokyo

Curated by PDSP Ki Database




J Pharmacol Exp Ther 314: 876-82 (2005)


Article DOI: 10.1124/jpet.105.084830
BindingDB Entry DOI: 10.7270/Q23X8573
More data for this
Ligand-Target Pair
Protein kinase C delta type


(Homo sapiens (Human))
BDBM50290873
PNG
((3R,6R)-6-Hydroxymethyl-3-isopropyl-4-tetradecyl-p...)
Show SMILES CCCCCCCCCCCCCCN1C[C@H](CO)NC(=O)[C@H]1C(C)C
Show InChI InChI=1S/C22H44N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-20(18-25)23-22(26)21(24)19(2)3/h19-21,25H,4-18H2,1-3H3,(H,23,26)/t20-,21-/m1/s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-PDBu from Protein kinase C delta


Bioorg Med Chem Lett 7: 2997-3000 (1997)


Article DOI: 10.1016/S0960-894X(97)10129-9
BindingDB Entry DOI: 10.7270/Q2RF5V05
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318948
PNG
(2-Methyl-2-[[7-(4-nitrophenyl)benzo[d]isothiazol-6...)
Show SMILES CC(C)(Sc1ccc2cnsc2c1-c1ccc(cc1)[N+]([O-])=O)C(O)=O
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n/an/a 12n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318954
PNG
(2-[[7-(4-Cyanophenyl)benzo[d]isothiazol-6-yl]thio]...)
Show SMILES CCC(CC)(Sc1ccc2cnsc2c1-c1ccc(cc1)C#N)C(O)=O
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Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318946
PNG
(1-[[7-(4-Cyanophenyl)benzo[d]isothiazol-6-yl]thio]...)
Show SMILES OC(=O)C1(CCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N
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Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318956
PNG
((E)-3-[[1-(4-cyanophenyl)naphthalen-2-yl]thio]-2-b...)
Show SMILES C\C(Sc1ccc2ccccc2c1-c1ccc(cc1)C#N)=C/C(O)=O
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n/an/a 25n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318947
PNG
(1-[[7-(4-Cyanophenyl)benzo[d]isothiazol-6-yl]thio]...)
Show SMILES OC(=O)C1(CCCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N
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n/an/a 26.2n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318949
PNG
(2-Methyl-2-[[7-[4-(trifluoromethyl)phenyl]benzo[d]...)
Show SMILES CC(C)(Sc1ccc2cnsc2c1-c1ccc(cc1)C(F)(F)F)C(O)=O
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Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318950
PNG
(2-[[7-(4-Chlorophenyl)benzo[d]isothiazol-6-yl]thio...)
Show SMILES CC(C)(Sc1ccc2cnsc2c1-c1ccc(Cl)cc1)C(O)=O
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n/an/a 106n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318952
PNG
(2-[[7-(4-Cyano-3-fluorophenyl)benzo[d]isothiazol-6...)
Show SMILES CC(C)(Sc1ccc2cnsc2c1-c1ccc(C#N)c(F)c1)C(O)=O
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n/an/a 161n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318944
PNG
(2-[[7-(4-Cyanophenyl)benzo[d]thiazol-6-yl]thio]-2-...)
Show SMILES CC(C)(Sc1ccc2ncsc2c1-c1ccc(cc1)C#N)C(O)=O
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n/an/a 170n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318951
PNG
(2-[[7-(3-Cyanophenyl)benzo[d]isothiazol-6-yl]thio]...)
Show SMILES CC(C)(Sc1ccc2cnsc2c1-c1cccc(c1)C#N)C(O)=O
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n/an/a 205n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318957
PNG
(1-[[7-(4-Cyanophenyl)benzo[d]isothazol-6-yl]thio]c...)
Show SMILES OC(=O)C1(CCCCC1)Sc1ccc2cnsc2c1-c1ccc(cc1)C#N
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Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318955
PNG
(2-[[7-(4-Cyanophenyl)benzo[d]isothiazol-6-yl]thio]...)
Show SMILES CC(C)(C)C(Sc1ccc2cnsc2c1-c1ccc(cc1)C#N)C(O)=O
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n/an/a 474n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318942
PNG
(2-[(4′-Cyano[1,1′-binaphthalene]-2-yl)...)
Show SMILES CC(C)(Sc1ccc2ccccc2c1-c1ccc(C#N)c2ccccc12)C(O)=O |(-3.75,-2.29,;-4.52,-.95,;-5.29,.38,;-3.19,-.18,;-1.85,-.95,;-1.85,-2.49,;-.52,-3.26,;.81,-2.49,;2.15,-3.26,;3.48,-2.49,;3.48,-.95,;2.15,-.18,;.81,-.95,;-.52,-.18,;-.52,1.36,;-1.85,2.13,;-1.85,3.67,;-.52,4.44,;-.52,5.98,;-.52,7.52,;.81,3.67,;2.15,4.44,;3.48,3.67,;3.48,2.13,;2.15,1.36,;.81,2.13,;-5.85,-1.72,;-5.85,-3.26,;-7.19,-.95,)|
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n/an/a 790n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318945
PNG
(2-[[3-(4-Cyanophenyl)quinolin-4-yl]thio]-2-methylp...)
Show SMILES CC(C)(Sc1c(cnc2ccccc12)-c1ccc(cc1)C#N)C(O)=O
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n/an/a 1.58E+3n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318941
PNG
(2-[(4′-Cyano-(1,1′-binaphthalene)-2-yl...)
Show SMILES CC(C)(Oc1ccc2ccccc2c1-c1ccc(C#N)c2ccccc12)C(O)=O |(-3.75,-2.29,;-4.52,-.95,;-5.29,.38,;-3.19,-.18,;-1.85,-.95,;-1.85,-2.49,;-.52,-3.26,;.81,-2.49,;2.15,-3.26,;3.48,-2.49,;3.48,-.95,;2.15,-.18,;.81,-.95,;-.52,-.18,;-.52,1.36,;-1.85,2.13,;-1.85,3.67,;-.52,4.44,;-.52,5.98,;-.52,7.52,;.81,3.67,;2.15,4.44,;3.48,3.67,;3.48,2.13,;2.15,1.36,;.81,2.13,;-5.85,-1.72,;-5.85,-3.26,;-7.19,-.95,)|
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n/an/a 2.06E+3n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318953
PNG
(1-[[7-(4-Cyanophenyl)-3-methylbenzo[d]isothiazol-6...)
Show SMILES Cc1nsc2c(c(SC3(CCC3)C(O)=O)ccc12)-c1ccc(cc1)C#N
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n/an/a 2.43E+3n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
More data for this
Ligand-Target Pair
Solute carrier family 22 member 12


(Homo sapiens (Human))
BDBM318943
PNG
(2-[[5-(4-Cyanophenyl)quinolin-6-yl]thio]-2-methylp...)
Show SMILES CC(C)(Sc1ccc2ncccc2c1-c1ccc(cc1)[N+]#[C-])C(O)=O
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antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.44E+3n/an/an/an/an/an/a



Nippon Chemiphar Co., Ltd.; J-Pharma Co., Ltd.; DeThree Res. Lab. Inc.

US Patent




US Patent US10173990 (2019)


BindingDB Entry DOI: 10.7270/Q2RR21BP
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Ligand-Target Pair