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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'miyamoto' and Initial = 's'   
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
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451372
PNG
(CHEMBL4217405)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H36F4N6O4/c1-20-15-23(35)10-11-28(20)44-14-13-43(19-30(44)45)33(47)41-31(21(2)25-17-39-26-8-6-5-7-24(25)26)32(46)40-27-16-22(18-42(3)4)9-12-29(27)48-34(36,37)38/h5-12,15-17,21,31,39H,13-14,18-19H2,1-4H3,(H,40,46)(H,41,47)/t21-,31+/m0/s1
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n/an/a 0.170n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451373
PNG
(CHEMBL4206924)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)c1ccccc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H43N5O3/c1-5-43-32-16-15-25(23-39(3)4)21-31(32)37-34(41)33(24(2)29-22-36-30-14-10-9-13-28(29)30)38-35(42)40-19-17-27(18-20-40)26-11-7-6-8-12-26/h6-16,21-22,24,27,33,36H,5,17-20,23H2,1-4H3,(H,37,41)(H,38,42)/t24-,33+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451394
PNG
(CHEMBL4205606)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(CC1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41FN6O3/c1-5-44-31-15-10-24(22-39(3)4)20-30(31)37-33(42)32(23(2)28-21-36-29-9-7-6-8-27(28)29)38-34(43)41-18-16-40(17-19-41)26-13-11-25(35)12-14-26/h6-15,20-21,23,32,36H,5,16-19,22H2,1-4H3,(H,37,42)(H,38,43)/t23-,32+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451392
PNG
(CHEMBL4214725)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39FN6O4/c1-5-45-30-15-10-23(20-39(3)4)18-29(30)37-33(43)32(22(2)27-19-36-28-9-7-6-8-26(27)28)38-34(44)40-16-17-41(31(42)21-40)25-13-11-24(35)12-14-25/h6-15,18-19,22,32,36H,5,16-17,20-21H2,1-4H3,(H,37,43)(H,38,44)/t22-,32+/m0/s1
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451391
PNG
(CHEMBL4212088)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H41FN6O4/c1-6-46-31-14-11-24(20-40(4)5)18-29(31)38-34(44)33(23(3)27-19-37-28-10-8-7-9-26(27)28)39-35(45)41-15-16-42(32(43)21-41)30-13-12-25(36)17-22(30)2/h7-14,17-19,23,33,37H,6,15-16,20-21H2,1-5H3,(H,38,44)(H,39,45)/t23-,33+/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451384
PNG
(CHEMBL4210064)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C35H39FN6O4/c1-21-16-25(36)11-13-31(21)42-15-14-41(20-32(42)44)35(46)39-33(22(2)28-18-37-29-9-7-6-8-27(28)29)34(45)38-30-17-24(19-40(4)5)10-12-26(30)23(3)43/h6-13,16-18,22,33,37H,14-15,19-20H2,1-5H3,(H,38,45)(H,39,46)/t22-,33+/m0/s1
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n/an/a 0.240n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451385
PNG
(CHEMBL4205969)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H37FN6O4/c1-21(28-18-36-29-8-6-5-7-27(28)29)32(33(44)37-30-17-23(19-39(3)4)9-14-26(30)22(2)42)38-34(45)40-15-16-41(31(43)20-40)25-12-10-24(35)11-13-25/h5-14,17-18,21,32,36H,15-16,19-20H2,1-4H3,(H,37,44)(H,38,45)/t21-,32+/m0/s1
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n/an/a 0.310n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4136
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H33ClF3N3O5/c1-15-19(9-6-10-22(15)36)24(38)33-20(12-16-7-5-8-17(11-16)28(30,31)32)23(37)26(40)35-14-18(29)13-21(35)25(39)34-27(2,3)4/h5-11,18,20-21,23,36-37H,12-14H2,1-4H3,(H,33,38)(H,34,39)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451382
PNG
(CHEMBL4205696)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(C(=O)C1)c1ccc(F)cc1)C(=O)Nc1cc(CN(C)C)ccc1OC(F)(F)F)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H34F4N6O4/c1-20(25-17-38-26-7-5-4-6-24(25)26)30(31(45)39-27-16-21(18-41(2)3)8-13-28(27)47-33(35,36)37)40-32(46)42-14-15-43(29(44)19-42)23-11-9-22(34)10-12-23/h4-13,16-17,20,30,38H,14-15,18-19H2,1-3H3,(H,39,45)(H,40,46)/t20-,30+/m0/s1
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n/an/a 0.530n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451399
PNG
(CHEMBL4208528)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H41N5O4S/c1-5-43-29-13-12-23(21-38(3)4)19-28(29)36-33(41)31(22(2)26-20-35-27-10-7-6-9-25(26)27)37-34(42)39-16-14-24(15-17-39)32(40)30-11-8-18-44-30/h6-13,18-20,22,24,31,35H,5,14-17,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.580n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4126
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-8-6-9-18(12-16)13-21(30-25(35)20-10-7-11-23(33)17(20)2)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4134
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H33ClF3N3O5/c1-15-19(6-5-7-22(15)36)24(38)33-20(12-16-8-10-17(11-9-16)28(30,31)32)23(37)26(40)35-14-18(29)13-21(35)25(39)34-27(2,3)4/h5-11,18,20-21,23,36-37H,12-14H2,1-4H3,(H,33,38)(H,34,39)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4129
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(9-6-10-22(15)33)24(35)30-20(12-16-7-5-8-18(29)11-16)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451395
PNG
(CHEMBL4211422)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H45N5O4/c1-5-43-30-14-13-23(21-38(3)4)19-29(30)36-33(41)31(22(2)27-20-35-28-12-7-6-11-26(27)28)37-34(42)39-17-15-25(16-18-39)32(40)24-9-8-10-24/h6-7,11-14,19-20,22,24-25,31,35H,5,8-10,15-18,21H2,1-4H3,(H,36,41)(H,37,42)/t22-,31+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451390
PNG
(CHEMBL4210627)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)c1cccs1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H39N5O4S/c1-21(27-19-35-28-9-6-5-8-26(27)28)31(33(42)36-29-18-23(20-38(3)4)11-12-25(29)22(2)40)37-34(43)39-15-13-24(14-16-39)32(41)30-10-7-17-44-30/h5-12,17-19,21,24,31,35H,13-16,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.680n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451388
PNG
(CHEMBL4215053)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCC(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H43N5O4/c1-21(28-19-35-29-11-6-5-10-27(28)29)31(33(42)36-30-18-23(20-38(3)4)12-13-26(30)22(2)40)37-34(43)39-16-14-25(15-17-39)32(41)24-8-7-9-24/h5-6,10-13,18-19,21,24-25,31,35H,7-9,14-17,20H2,1-4H3,(H,36,42)(H,37,43)/t21-,31+/m0/s1
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n/an/a 0.690n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4130
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(2-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-18(9-7-11-22(15)33)24(35)30-20(12-16-8-5-6-10-19(16)29)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4132
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,5-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-19(6-5-7-22(14)34)24(36)31-20(10-15-8-17(29)12-18(30)9-15)23(35)26(38)33-13-16(28)11-21(33)25(37)32-27(2,3)4/h5-9,12,16,20-21,23,34-35H,10-11,13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4131
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,4-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-17(6-5-7-22(14)34)24(36)31-20(11-15-8-9-18(29)19(30)10-15)23(35)26(38)33-13-16(28)12-21(33)25(37)32-27(2,3)4/h5-10,16,20-21,23,34-35H,11-13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4124
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O5/c1-16-19(11-8-12-22(16)32)24(34)29-20(13-17-9-6-5-7-10-17)23(33)26(36)31-15-18(28)14-21(31)25(35)30-27(2,3)4/h5-12,18,20-21,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4163
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H38ClN3O5/c1-18-12-24(19(2)27(37)13-18)29(39)34-25(15-20-10-11-21-8-6-7-9-22(21)14-20)28(38)31(41)36-17-23(33)16-26(36)30(40)35-32(3,4)5/h6-14,23,25-26,28,37-38H,15-17H2,1-5H3,(H,34,39)(H,35,40)/t23-,25-,26-,28-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451396
PNG
(CHEMBL4216387)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)CC(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C34H47N5O4/c1-7-43-31-13-12-24(21-38(5)6)19-29(31)36-33(41)32(23(4)27-20-35-28-11-9-8-10-26(27)28)37-34(42)39-16-14-25(15-17-39)30(40)18-22(2)3/h8-13,19-20,22-23,25,32,35H,7,14-18,21H2,1-6H3,(H,36,41)(H,37,42)/t23-,32+/m0/s1
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n/an/a 0.890n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4265
PNG
((2-Ethyl-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-5-19-20(12-9-13-23(19)33)25(35)30-21(14-17-10-7-6-8-11-17)24(34)27(37)32-16-18(29)15-22(32)26(36)31-28(2,3)4/h6-13,18,21-22,24,33-34H,5,14-16H2,1-4H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4138
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C33H38ClN3O5/c1-20-25(11-8-12-28(20)38)30(40)35-26(17-21-13-15-23(16-14-21)22-9-6-5-7-10-22)29(39)32(42)37-19-24(34)18-27(37)31(41)36-33(2,3)4/h5-16,24,26-27,29,38-39H,17-19H2,1-4H3,(H,35,40)(H,36,41)/t24-,26-,27-,29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4135
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES COc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C28H36ClN3O6/c1-16-20(7-6-8-23(16)33)25(35)30-21(13-17-9-11-19(38-5)12-10-17)24(34)27(37)32-15-18(29)14-22(32)26(36)31-28(2,3)4/h6-12,18,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t18-,21-,22-,24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4128
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(4-fluo...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(6-5-7-22(15)33)24(35)30-20(12-16-8-10-18(29)11-9-16)23(34)26(37)32-14-17(28)13-21(32)25(36)31-27(2,3)4/h5-11,17,20-21,23,33-34H,12-14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4124
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O5/c1-16-19(11-8-12-22(16)32)24(34)29-20(13-17-9-6-5-7-10-17)23(33)26(36)31-15-18(28)14-21(31)25(35)30-27(2,3)4/h5-12,18,20-21,23,32-33H,13-15H2,1-4H3,(H,29,34)(H,30,35)/t18-,20-,21-,23-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4125
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1 |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-9-11-18(12-10-16)13-21(30-25(35)20-7-6-8-23(33)17(20)2)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451386
PNG
(CHEMBL4203793)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C(C)(C)C)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H44N6O4/c1-21(26-19-34-27-11-9-8-10-25(26)27)29(36-32(43)39-16-14-38(15-17-39)31(42)33(3,4)5)30(41)35-28-18-23(20-37(6)7)12-13-24(28)22(2)40/h8-13,18-19,21,29,34H,14-17,20H2,1-7H3,(H,35,41)(H,36,43)/t21-,29+/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4142
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36ClN3O5/c1-18-23(10-7-11-26(18)36)28(38)33-24(15-19-12-13-20-8-5-6-9-21(20)14-19)27(37)30(40)35-17-22(32)16-25(35)29(39)34-31(2,3)4/h5-14,22,24-25,27,36-37H,15-17H2,1-4H3,(H,33,38)(H,34,39)/t22-,24-,25-,27-/m0/s1
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n/an/a 1n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451397
PNG
(CHEMBL4208009)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)C(C)C)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H45N5O4/c1-7-42-29-13-12-23(20-37(5)6)18-28(29)35-32(40)30(22(4)26-19-34-27-11-9-8-10-25(26)27)36-33(41)38-16-14-24(15-17-38)31(39)21(2)3/h8-13,18-19,21-22,24,30,34H,7,14-17,20H2,1-6H3,(H,35,40)(H,36,41)/t22-,30+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4161
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,5-di...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H34ClF2N3O5/c1-14-6-20(15(2)23(35)7-14)25(37)32-21(10-16-8-18(30)12-19(31)9-16)24(36)27(39)34-13-17(29)11-22(34)26(38)33-28(3,4)5/h6-9,12,17,21-22,24,35-36H,10-11,13H2,1-5H3,(H,32,37)(H,33,38)/t17-,21-,22-,24-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4165
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2ccccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H35ClFN3O5/c1-17-23(14-22(33)15-26(17)37)28(39)34-24(12-18-9-10-19-7-5-6-8-20(19)11-18)27(38)30(41)36-16-21(32)13-25(36)29(40)35-31(2,3)4/h5-11,14-15,21,24-25,27,37-38H,12-13,16H2,1-4H3,(H,34,39)(H,35,40)/t21-,24-,25-,27-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4139
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(3,4-di...)
Show SMILES Cc1ccc(C[C@H](NC(=O)c2cccc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)cc1C |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-10-11-19(12-17(16)2)13-22(31-26(36)21-8-7-9-24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4137
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H34ClN3O6/c1-15-19(6-5-7-22(15)33)24(35)29-20(12-16-8-10-18(32)11-9-16)23(34)26(37)31-14-17(28)13-21(31)25(36)30-27(2,3)4/h5-11,17,20-21,23,32-34H,12-14H2,1-4H3,(H,29,35)(H,30,36)/t17-,20-,21-,23-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4144
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-16-11-20(17(2)23(33)12-16)25(35)30-21(13-18-9-7-6-8-10-18)24(34)27(37)32-15-19(29)14-22(32)26(36)31-28(3,4)5/h6-12,19,21-22,24,33-34H,13-15H2,1-5H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4154
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cccc(C[C@H](NC(=O)c2cc(C)cc(O)c2C)[C@H](O)C(=O)N2C[C@@H](Cl)C[C@H]2C(=O)NC(C)(C)C)c1 |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-16-8-7-9-19(10-16)13-22(31-26(36)21-11-17(2)12-24(34)18(21)3)25(35)28(38)33-15-20(30)14-23(33)27(37)32-29(4,5)6/h7-12,20,22-23,25,34-35H,13-15H2,1-6H3,(H,31,36)(H,32,37)/t20-,22-,23-,25-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4160
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C34H40ClN3O5/c1-20-15-26(21(2)29(39)16-20)31(41)36-27(17-22-11-13-24(14-12-22)23-9-7-6-8-10-23)30(40)33(43)38-19-25(35)18-28(38)32(42)37-34(3,4)5/h6-16,25,27-28,30,39-40H,17-19H2,1-5H3,(H,36,41)(H,37,42)/t25-,27-,28-,30-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4140
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydr...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H34ClN3O5S/c1-16-20(6-5-7-23(16)34)26(36)31-21(13-17-8-9-24-18(12-17)10-11-39-24)25(35)28(38)33-15-19(30)14-22(33)27(37)32-29(2,3)4/h5-12,19,21-22,25,34-35H,13-15H2,1-4H3,(H,31,36)(H,32,37)/t19-,21-,22-,25-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4123
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](CCc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C28H36ClN3O5/c1-17-20(11-8-12-23(17)33)25(35)30-21(14-13-18-9-6-5-7-10-18)24(34)27(37)32-16-19(29)15-22(32)26(36)31-28(2,3)4/h5-12,19,21-22,24,33-34H,13-16H2,1-4H3,(H,30,35)(H,31,36)/t19-,21-,22-,24-/m0/s1
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n/an/a 1.40n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4141
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1cccc2ccccc12)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C31H36ClN3O5/c1-18-22(13-8-14-26(18)36)28(38)33-24(15-20-11-7-10-19-9-5-6-12-23(19)20)27(37)30(40)35-17-21(32)16-25(35)29(39)34-31(2,3)4/h5-14,21,24-25,27,36-37H,15-17H2,1-4H3,(H,33,38)(H,34,39)/t21-,24-,25-,27-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4166
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-2-hydr...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C30H36ClN3O5S/c1-16-10-21(17(2)24(35)11-16)27(37)32-22(13-18-6-7-25-19(12-18)8-9-40-25)26(36)29(39)34-15-20(31)14-23(34)28(38)33-30(3,4)5/h6-12,20,22-23,26,35-36H,13-15H2,1-5H3,(H,32,37)(H,33,38)/t20-,22-,23-,26-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4264
PNG
((2-Bromo-3-hydroxy)benzoyl-(2S,3S)-AHPBA-4(S)-Cl-P...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1Br |r|
Show InChI InChI=1S/C26H31BrClN3O5/c1-26(2,3)30-24(35)19-13-16(28)14-31(19)25(36)22(33)18(12-15-8-5-4-6-9-15)29-23(34)17-10-7-11-20(32)21(17)27/h4-11,16,18-19,22,32-33H,12-14H2,1-3H3,(H,29,34)(H,30,35)/t16-,18-,19-,22-/m0/s1
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n/an/a 1.5n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4133
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-4-(2,4-di...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](Cc1ccc(F)cc1F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H32ClF2N3O5/c1-14-18(6-5-7-22(14)34)24(36)31-20(10-15-8-9-17(29)12-19(15)30)23(35)26(38)33-13-16(28)11-21(33)25(37)32-27(2,3)4/h5-9,12,16,20-21,23,34-35H,10-11,13H2,1-4H3,(H,31,36)(H,32,37)/t16-,20-,21-,23-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4266
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES CCCc1c(O)cccc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H38ClN3O5/c1-5-10-20-21(13-9-14-24(20)34)26(36)31-22(15-18-11-7-6-8-12-18)25(35)28(38)33-17-19(30)16-23(33)27(37)32-29(2,3)4/h6-9,11-14,19,22-23,25,34-35H,5,10,15-17H2,1-4H3,(H,31,36)(H,32,37)/t19-,22-,23-,25-/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 6: 595-604 (1998)


Article DOI: 10.1016/s0968-0896(98)00004-2
BindingDB Entry DOI: 10.7270/Q2QN64XQ
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4145
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-3-[(5-flu...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C27H33ClFN3O5/c1-15-19(12-18(29)13-22(15)33)24(35)30-20(10-16-8-6-5-7-9-16)23(34)26(37)32-14-17(28)11-21(32)25(36)31-27(2,3)4/h5-9,12-13,17,20-21,23,33-34H,10-11,14H2,1-4H3,(H,30,35)(H,31,36)/t17-,20-,21-,23-/m0/s1
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n/an/a 1.70n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451387
PNG
(CHEMBL4203387)
Show SMILES C[C@H]([C@@H](NC(=O)N1CCN(CC1)C(=O)C1CCC1)C(=O)Nc1cc(CN(C)C)ccc1C(C)=O)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H42N6O4/c1-21(27-19-34-28-11-6-5-10-26(27)28)30(31(41)35-29-18-23(20-37(3)4)12-13-25(29)22(2)40)36-33(43)39-16-14-38(15-17-39)32(42)24-8-7-9-24/h5-6,10-13,18-19,21,24,30,34H,7-9,14-17,20H2,1-4H3,(H,35,41)(H,36,43)/t21-,30+/m0/s1
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KEGG

UniProtKB/SwissProt

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antibodypedia
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n/an/a 1.80n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4167
PNG
((2S,4S)-1-[(2S,3S)-4-(1-benzothiophen-5-yl)-3-[(5-...)
Show SMILES Cc1c(O)cc(F)cc1C(=O)N[C@@H](Cc1ccc2sccc2c1)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H33ClFN3O5S/c1-15-20(12-19(31)13-23(15)35)26(37)32-21(10-16-5-6-24-17(9-16)7-8-40-24)25(36)28(39)34-14-18(30)11-22(34)27(38)33-29(2,3)4/h5-9,12-13,18,21-22,25,35-36H,10-11,14H2,1-4H3,(H,32,37)(H,33,38)/t18-,21-,22-,25-/m0/s1
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n/an/a 1.90n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587]


(Human immunodeficiency virus type 1)		BDBM4148
PNG
((2S,4S)-N-tert-butyl-4-chloro-1-[(2S,3S)-2-hydroxy...)
Show SMILES Cc1cc(O)c(C)c(c1)C(=O)N[C@@H](Cc1cccc(c1)C(F)(F)F)[C@H](O)C(=O)N1C[C@@H](Cl)C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C29H35ClF3N3O5/c1-15-9-20(16(2)23(37)10-15)25(39)34-21(12-17-7-6-8-18(11-17)29(31,32)33)24(38)27(41)36-14-19(30)13-22(36)26(40)35-28(3,4)5/h6-11,19,21-22,24,37-38H,12-14H2,1-5H3,(H,34,39)(H,35,40)/t19-,21-,22-,24-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.90n/an/an/an/an/an/a



Sankyo Co. Ltd.



Assay Description
The inhibitory activities of the compounds toward HIV-1 PR were determined by sodium dodecyl sulfate-polyacrylamide gel electrophoresis (SDS-PAGE) as...

Bioorg Med Chem 7: 2063-72 (1999)


Article DOI: 10.1016/s0968-0896(99)00127-3
BindingDB Entry DOI: 10.7270/Q23T9FD0
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))		BDBM50451398
PNG
(CHEMBL4203652)
Show SMILES CCOc1ccc(CN(C)C)cc1NC(=O)[C@H](NC(=O)N1CCC(CC1)C(=O)c1nccs1)[C@@H](C)c1c[nH]c2ccccc12 |r|
Show InChI InChI=1S/C33H40N6O4S/c1-5-43-28-11-10-22(20-38(3)4)18-27(28)36-31(41)29(21(2)25-19-35-26-9-7-6-8-24(25)26)37-33(42)39-15-12-23(13-16-39)30(40)32-34-14-17-44-32/h6-11,14,17-19,21,23,29,35H,5,12-13,15-16,20H2,1-4H3,(H,36,41)(H,37,42)/t21-,29+/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Displacement of [125I]somatostatin-14 (Tyr11) from human SSTR2 expressed in CHO dhfr cell membranes after 60 mins by TopCount scintillation counting ...

Bioorg Med Chem 25: 5995-6006 (2017)


Article DOI: 10.1016/j.bmc.2017.09.031
BindingDB Entry DOI: 10.7270/Q2PR7ZK8
More data for this
Ligand-Target Pair
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