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Compile Data Set for Download or QSAR

Found 237 hits with Last Name = 'aicher' and Initial = 'b'   
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
Ghrelin receptor


(Homo sapiens (human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
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0.800n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165587
PNG
(CHEMBL3800298)
Show SMILES COc1ccc(Cn2c(nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C50H64N10O5/c1-30(2)23-44(54-32(5)61)49(63)57-45(24-31(3)4)50(64)56-43(26-36-28-53-41-14-10-8-12-39(36)41)47-59-58-46(60(47)29-33-15-17-37(65-6)18-16-33)42(55-48(62)34-19-21-51-22-20-34)25-35-27-52-40-13-9-7-11-38(35)40/h7-18,27-28,30-31,34,42-45,51-53H,19-26,29H2,1-6H3,(H,54,61)(H,55,62)(H,56,64)(H,57,63)/t42-,43-,44+,45?/m1/s1
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2n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102979
PNG
(US8546435, 7)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CNCCO2)cc1
Show InChI InChI=1S/C35H39N7O4/c1-23(43)38-30(18-24-8-4-3-5-9-24)33-40-41-34(42(33)22-25-12-14-27(45-2)15-13-25)31(39-35(44)32-21-36-16-17-46-32)19-26-20-37-29-11-7-6-10-28(26)29/h3-15,20,30-32,36-37H,16-19,21-22H2,1-2H3,(H,38,43)(H,39,44)/t30-,31-,32+/m1/s1
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2n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165582
PNG
(CHEMBL3797225)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C38H45N9O3/c1-24(48)43-34(19-26-21-41-32-12-5-3-9-29(26)32)36-45-46-37(47(36)23-25-14-16-28(50-2)17-15-25)35(44-38(49)31(40)11-7-8-18-39)20-27-22-42-33-13-6-4-10-30(27)33/h3-6,9-10,12-17,21-22,31,34-35,41-42H,7-8,11,18-20,23,39-40H2,1-2H3,(H,43,48)(H,44,49)/t31-,34+,35+/m0/s1
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2.5n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165589
PNG
(CHEMBL3798095)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1
Show InChI InChI=1S/C46H57N9O6/c1-27(2)19-40(49-29(5)57)45(59)52-41(20-28(3)4)46(60)51-39(22-32-24-48-37-14-10-8-12-35(32)37)44-54-53-43(55(44)25-30-15-17-33(61-6)18-16-30)38(50-42(58)26-56)21-31-23-47-36-13-9-7-11-34(31)36/h7-18,23-24,27-28,38-41,47-48,56H,19-22,25-26H2,1-6H3,(H,49,57)(H,50,58)(H,51,60)(H,52,59)/t38-,39-,40+,41+/m1/s1
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3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165588
PNG
(CHEMBL3800422)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C48H61N9O6/c1-28(2)21-41(51-30(5)58)45(59)53-42(22-29(3)4)46(60)52-39(23-32-25-49-37-15-11-9-13-35(32)37)43-55-56-44(57(43)27-31-17-19-34(63-8)20-18-31)40(54-47(61)48(6,7)62)24-33-26-50-38-16-12-10-14-36(33)38/h9-20,25-26,28-29,39-42,49-50,62H,21-24,27H2,1-8H3,(H,51,58)(H,52,60)(H,53,59)(H,54,61)/t39-,40-,41+,42+/m1/s1
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3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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4n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102977
PNG
(US8546435, 5)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C35H33N7O3/c1-45-27-16-14-25(15-17-27)22-42-33(31(38-23-43)19-24-9-3-2-4-10-24)40-41-34(42)32(39-35(44)30-13-7-8-18-36-30)20-26-21-37-29-12-6-5-11-28(26)29/h2-18,21,23,31-32,37H,19-20,22H2,1H3,(H,38,43)(H,39,44)/t31-,32-/m1/s1
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8n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165583
PNG
(CHEMBL3798645)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)[C@@H](Cc2c[nH]c3ccccc23)NC=O)cc1
Show InChI InChI=1S/C37H43N9O3/c1-49-27-15-13-24(14-16-27)22-46-35(33(42-23-47)18-25-20-40-31-11-4-2-8-28(25)31)44-45-36(46)34(43-37(48)30(39)10-6-7-17-38)19-26-21-41-32-12-5-3-9-29(26)32/h2-5,8-9,11-16,20-21,23,30,33-34,40-41H,6-7,10,17-19,22,38-39H2,1H3,(H,42,47)(H,43,48)/t30-,33+,34+/m0/s1
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8n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165590
PNG
(CHEMBL3799225)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2=CCCCO2)cc1
Show InChI InChI=1S/C36H38N6O4/c1-24(43)38-31(20-25-10-4-3-5-11-25)34-40-41-35(42(34)23-26-15-17-28(45-2)18-16-26)32(39-36(44)33-14-8-9-19-46-33)21-27-22-37-30-13-7-6-12-29(27)30/h3-7,10-18,22,31-32,37H,8-9,19-21,23H2,1-2H3,(H,38,43)(H,39,44)/t31-,32-/m1/s1
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9n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102975
PNG
(US8546435, 3)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35-/m1/s1
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9n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102976
PNG
(US8546435, 4)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1
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10n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165591
PNG
(CHEMBL3798155)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cc(F)cc(F)n2)cc1
Show InChI InChI=1S/C36H33F2N7O3/c1-22(46)40-30(16-23-8-4-3-5-9-23)34-43-44-35(45(34)21-24-12-14-27(48-2)15-13-24)31(17-25-20-39-29-11-7-6-10-28(25)29)42-36(47)32-18-26(37)19-33(38)41-32/h3-15,18-20,30-31,39H,16-17,21H2,1-2H3,(H,40,46)(H,42,47)/t30-,31-/m1/s1
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11n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102980
PNG
(US8546435, 8)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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12n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165581
PNG
(CHEMBL3799222)
Show SMILES COC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1
Show InChI InChI=1S/C44H55N9O5/c1-27(2)21-34(44(56)58-4)42(54)49-38(22-29-24-47-36-14-7-5-11-32(29)36)40-51-52-41(53(40)26-28-16-18-31(57-3)19-17-28)39(50-43(55)35(46)13-9-10-20-45)23-30-25-48-37-15-8-6-12-33(30)37/h5-8,11-12,14-19,24-25,27,34-35,38-39,47-48H,9-10,13,20-23,26,45-46H2,1-4H3,(H,49,54)(H,50,55)/t34?,35-,38+,39+/m0/s1
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17n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165593
PNG
(CHEMBL3799687)
Show SMILES COc1ccc(Cn2c(nnc2[C@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33+/m0/s1
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17n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165594
PNG
(CHEMBL3797531)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@H](N)Cc2ccccc2)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-16-14-24(15-17-26)22-41-32(28(35)19-23-9-3-2-4-10-23)39-40-33(41)31(38-34(42)30-13-7-8-18-36-30)20-25-21-37-29-12-6-5-11-27(25)29/h2-18,21,28,31,37H,19-20,22,35H2,1H3,(H,38,42)/t28-,31-/m1/s1
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18n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165586
PNG
(CHEMBL3798559)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C48H62N10O5/c1-28(2)21-41(52-30(5)59)45(60)54-42(22-29(3)4)46(61)53-39(23-32-25-50-37-15-11-9-13-35(32)37)43-56-57-44(58(43)27-31-17-19-34(63-8)20-18-31)40(55-47(62)48(6,7)49)24-33-26-51-38-16-12-10-14-36(33)38/h9-20,25-26,28-29,39-42,50-51H,21-24,27,49H2,1-8H3,(H,52,59)(H,53,61)(H,54,60)(H,55,62)/t39-,40-,41+,42+/m1/s1
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30n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102981
PNG
(US8546435, 9)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC=O)cc1
Show InChI InChI=1S/C35H38N8O3/c1-35(2,36)34(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-41-32(43(33)20-22-12-14-25(46-3)15-13-22)30(39-21-44)16-23-18-37-28-10-6-4-8-26(23)28/h4-15,18-19,21,30-31,37-38H,16-17,20,36H2,1-3H3,(H,39,44)(H,40,45)/t30-,31-/m1/s1
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46n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165596
PNG
(CHEMBL3798525)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C34H39N7O3/c1-22(42)37-29(18-23-10-6-5-7-11-23)31-39-40-32(41(31)21-24-14-16-26(44-4)17-15-24)30(38-33(43)34(2,3)35)19-25-20-36-28-13-9-8-12-27(25)28/h5-17,20,29-30,36H,18-19,21,35H2,1-4H3,(H,37,42)(H,38,43)/t29-,30-/m1/s1
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46n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165585
PNG
(CHEMBL3800172)
Show SMILES COc1ccc(Cn2c(nnc2C(Cc2c[nH]c3ccccc23)NC(=O)C2CNCCO2)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(C)=O)cc1
Show InChI InChI=1S/C49H62N10O6/c1-29(2)21-42(53-31(5)60)47(61)56-43(22-30(3)4)48(62)54-40(23-33-25-51-38-13-9-7-11-36(33)38)45-57-58-46(59(45)28-32-15-17-35(64-6)18-16-32)41(55-49(63)44-27-50-19-20-65-44)24-34-26-52-39-14-10-8-12-37(34)39/h7-18,25-26,29-30,40-44,50-52H,19-24,27-28H2,1-6H3,(H,53,60)(H,54,62)(H,55,63)(H,56,61)/t40-,41-,42+,43?,44+/m1/s1
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50n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165598
PNG
(CHEMBL3797857)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2ccccc2)NC=O)cc1
Show InChI InChI=1S/C33H37N7O3/c1-33(2,34)32(42)37-29(18-24-19-35-27-12-8-7-11-26(24)27)31-39-38-30(28(36-21-41)17-22-9-5-4-6-10-22)40(31)20-23-13-15-25(43-3)16-14-23/h4-16,19,21,28-29,35H,17-18,20,34H2,1-3H3,(H,36,41)(H,37,42)/t28-,29-/m1/s1
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59n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165601
PNG
(CHEMBL3799671)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35+/m0/s1
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62n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165595
PNG
(CHEMBL3799883)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](N)Cc2ccccc2)cc1
Show InChI InChI=1S/C34H33N7O2/c1-43-26-16-14-24(15-17-26)22-41-32(28(35)19-23-9-3-2-4-10-23)39-40-33(41)31(38-34(42)30-13-7-8-18-36-30)20-25-21-37-29-12-6-5-11-27(25)29/h2-18,21,28,31,37H,19-20,22,35H2,1H3,(H,38,42)/t28-,31+/m0/s1
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62n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165584
PNG
(CHEMBL3798056)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C50H67N11O5/c1-30(2)23-44(55-32(5)62)49(64)58-45(24-31(3)4)50(65)57-43(26-35-28-54-41-17-10-8-14-38(35)41)47-60-59-46(61(47)29-33-18-20-36(66-6)21-19-33)42(56-48(63)39(52)15-11-12-22-51)25-34-27-53-40-16-9-7-13-37(34)40/h7-10,13-14,16-21,27-28,30-31,39,42-45,53-54H,11-12,15,22-26,29,51-52H2,1-6H3,(H,55,62)(H,56,63)(H,57,65)(H,58,64)/t39-,42+,43+,44-,45-/m0/s1
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110n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165604
PNG
(CHEMBL3798204)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30-/m1/s1
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131n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165602
PNG
(CHEMBL3799604)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@H](Cc2c[nH]c3ccccc23)NC=O)cc1
Show InChI InChI=1S/C37H34N8O3/c1-48-27-15-13-24(14-16-27)22-45-35(33(41-23-46)18-25-20-39-30-10-4-2-8-28(25)30)43-44-36(45)34(42-37(47)32-12-6-7-17-38-32)19-26-21-40-31-11-5-3-9-29(26)31/h2-17,20-21,23,33-34,39-40H,18-19,22H2,1H3,(H,41,46)(H,42,47)/t33-,34+/m0/s1
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154n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165599
PNG
(CHEMBL3799862)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](N)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28-/m1/s1
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154n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165579
PNG
(CHEMBL3797639)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)cc1
Show InChI InChI=1S/C49H65N11O5/c1-29(2)22-37(47(62)55-41(44(52)61)23-30(3)4)48(63)56-42(24-32-26-53-39-15-8-6-12-35(32)39)45-58-59-46(60(45)28-31-17-19-34(65-5)20-18-31)43(57-49(64)38(51)14-10-11-21-50)25-33-27-54-40-16-9-7-13-36(33)40/h6-9,12-13,15-20,26-27,29-30,37-38,41-43,53-54H,10-11,14,21-25,28,50-51H2,1-5H3,(H2,52,61)(H,55,62)(H,56,63)(H,57,64)/t37?,38-,41-,42+,43+/m0/s1
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210n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165580
PNG
(CHEMBL3798337)
Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)C(CC(C)C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](N)CCCCN)n1Cc1ccc(OC)cc1
Show InChI InChI=1S/C50H66N10O6/c1-30(2)23-38(48(62)57-44(24-31(3)4)50(64)66-6)47(61)55-42(25-33-27-53-40-16-9-7-13-36(33)40)45-58-59-46(60(45)29-32-18-20-35(65-5)21-19-32)43(56-49(63)39(52)15-11-12-22-51)26-34-28-54-41-17-10-8-14-37(34)41/h7-10,13-14,16-21,27-28,30-31,38-39,42-44,53-54H,11-12,15,22-26,29,51-52H2,1-6H3,(H,55,61)(H,56,63)(H,57,62)/t38?,39-,42+,43+,44-/m0/s1
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220n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50260270
PNG
(CHEMBL506986 | KwFwLL-NH2)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CCCCN)C(N)=O
Show InChI InChI=1S/C49H66N10O6/c1-29(2)22-39(44(52)60)55-46(62)40(23-30(3)4)57-49(65)43(26-33-28-54-38-20-11-9-17-35(33)38)59-47(63)41(24-31-14-6-5-7-15-31)58-48(64)42(56-45(61)36(51)18-12-13-21-50)25-32-27-53-37-19-10-8-16-34(32)37/h5-11,14-17,19-20,27-30,36,39-43,53-54H,12-13,18,21-26,50-51H2,1-4H3,(H2,52,60)(H,55,62)(H,56,61)(H,57,65)(H,58,64)(H,59,63)/t36-,39-,40-,41-,42+,43+/m0/s1
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255n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Competitive binding affinity to human SNAP-tagged GHS-R1a expressed in HEK293T cells incubated at 4 degC for 3 hrs or at room temperature for 1 hr by...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165603
PNG
(CHEMBL3800176)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165600
PNG
(CHEMBL3799567)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](N)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H37N7O2/c1-32(2,34)31(40)36-28(18-23-19-35-27-12-8-7-11-25(23)27)30-38-37-29(26(33)17-21-9-5-4-6-10-21)39(30)20-22-13-15-24(41-3)16-14-22/h4-16,19,26,28,35H,17-18,20,33-34H2,1-3H3,(H,36,40)/t26-,28+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165597
PNG
(CHEMBL3800225)
Show SMILES COc1ccc(Cn2c(nnc2[C@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1
Show InChI InChI=1S/C34H39N7O3/c1-22(42)37-29(18-23-10-6-5-7-11-23)31-39-40-32(41(31)21-24-14-16-26(44-4)17-15-24)30(38-33(43)34(2,3)35)19-25-20-36-28-13-9-8-12-27(25)28/h5-17,20,29-30,36H,18-19,21,35H2,1-4H3,(H,37,42)(H,38,43)/t29-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165605
PNG
(CHEMBL3800383)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](N)Cc2c[nH]c3ccccc23)cc1
Show InChI InChI=1S/C34H38N8O2/c1-34(2,36)33(43)39-30(17-23-19-38-29-11-7-5-9-26(23)29)32-41-40-31(42(32)20-21-12-14-24(44-3)15-13-21)27(35)16-22-18-37-28-10-6-4-8-25(22)28/h4-15,18-19,27,30,37-38H,16-17,20,35-36H2,1-3H3,(H,39,43)/t27-,30+/m0/s1
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>1.00E+3n/an/an/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102975
PNG
(US8546435, 3)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.


US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089878
PNG
(CHEMBL3581030)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-32(19-16-24-9-3-2-4-10-24)38-39-33(40)31(37-34(41)30-13-7-8-20-35-30)21-26-22-36-29-12-6-5-11-28(26)29/h2-15,17-18,20,22,31,36H,16,19,21,23H2,1H3,(H,37,41)/t31-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102976
PNG
(US8546435, 4)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.


US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102980
PNG
(US8546435, 8)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C36H40N8O3/c1-22(45)40-31(17-24-19-38-29-11-7-5-9-27(24)29)33-42-43-34(44(33)21-23-13-15-26(47-4)16-14-23)32(41-35(46)36(2,3)37)18-25-20-39-30-12-8-6-10-28(25)30/h5-16,19-20,31-32,38-39H,17-18,21,37H2,1-4H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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n/an/a 1.40n/an/an/an/an/an/a



AEterna Zentaris GmbH; Centre National de la Recherche Scientifique; University of Montpellier I; University of Montpellier II

US Patent


Assay Description
Competitive binding assay using ghrelin receptor.


US Patent US8546435 (2013)


BindingDB Entry DOI: 10.7270/Q22N50XS
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102978
PNG
(US8546435, 6)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CO)cc1
Show InChI InChI=1S/C32H34N6O4/c1-21(40)34-28(16-22-8-4-3-5-9-22)31-36-37-32(38(31)19-23-12-14-25(42-2)15-13-23)29(35-30(41)20-39)17-24-18-33-27-11-7-6-10-26(24)27/h3-15,18,28-29,33,39H,16-17,19-20H2,1-2H3,(H,34,40)(H,35,41)/t28-,29-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102975
PNG
(US8546435, 3)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)cc1
Show InChI InChI=1S/C38H36N8O3/c1-24(47)42-34(19-26-21-40-31-11-5-3-9-29(26)31)36-44-45-37(46(36)23-25-14-16-28(49-2)17-15-25)35(43-38(48)33-13-7-8-18-39-33)20-27-22-41-32-12-6-4-10-30(27)32/h3-18,21-22,34-35,40-41H,19-20,23H2,1-2H3,(H,42,47)(H,43,48)/t34-,35-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50165592
PNG
(CHEMBL3799776)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C36H34FN7O3/c1-23(45)40-31(19-24-9-4-3-5-10-24)34-42-43-35(44(34)22-25-14-16-27(47-2)17-15-25)32(41-36(46)33-29(37)12-8-18-38-33)20-26-21-39-30-13-7-6-11-28(26)30/h3-18,21,31-32,39H,19-20,22H2,1-2H3,(H,40,45)(H,41,46)/t31-,32-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in mouse LTK cells after 6 hrs by CRE/luciferase reporter gene assay in presence of ghrelin and roli...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM102976
PNG
(US8546435, 4)
Show SMILES COc1ccc(Cn2c(nnc2[C@@H](Cc2ccccc2)NC(C)=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccccn2)cc1
Show InChI InChI=1S/C36H35N7O3/c1-24(44)39-32(20-25-10-4-3-5-11-25)34-41-42-35(43(34)23-26-15-17-28(46-2)18-16-26)33(40-36(45)31-14-8-9-19-37-31)21-27-22-38-30-13-7-6-12-29(27)30/h3-19,22,32-33,38H,20-21,23H2,1-2H3,(H,39,44)(H,40,45)/t32-,33-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Universit£ de Montpellier

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a transfected in CHO cells assessed as inhibition of ghrelin-induced intracellular calcium mobilization measured o...


Bioorg Med Chem Lett 26: 2408-12 (2016)


Article DOI: 10.1016/j.bmcl.2016.04.003
BindingDB Entry DOI: 10.7270/Q2J9688V
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089899
PNG
(CHEMBL3581042)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(OC)n2)cc1
Show InChI InChI=1S/C35H34N6O3/c1-43-27-18-15-25(16-19-27)23-41-32(20-17-24-9-4-3-5-10-24)39-40-34(41)31(21-26-22-36-29-12-7-6-11-28(26)29)38-35(42)30-13-8-14-33(37-30)44-2/h3-16,18-19,22,31,36H,17,20-21,23H2,1-2H3,(H,38,42)/t31-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089869
PNG
(CHEMBL3581039)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(F)n2)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-17-14-24(15-18-26)22-41-32(19-16-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)29-12-7-13-31(35)37-29)20-25-21-36-28-11-6-5-10-27(25)28/h2-15,17-18,21,30,36H,16,19-20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at GHSR1a (unknown origin) assessed as inhibition of ghrelin-induced intracellular calcium mobilization


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089868
PNG
(CHEMBL3581040)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncc(F)cc2F)cc1
Show InChI InChI=1S/C34H30F2N6O2/c1-44-26-14-11-23(12-15-26)21-42-31(16-13-22-7-3-2-4-8-22)40-41-33(42)30(17-24-19-37-29-10-6-5-9-27(24)29)39-34(43)32-28(36)18-25(35)20-38-32/h2-12,14-15,18-20,30,37H,13,16-17,21H2,1H3,(H,39,43)/t30-/m1/s1
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n/an/a 2.80n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Antagonist activity at human GSHR1a expressed in mouse LTK cells assessed as inhibition of ghrelin-induced reporter gene expression after 6 hrs by CR...


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50089870
PNG
(CHEMBL3581038)
Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ncccc2F)cc1
Show InChI InChI=1S/C34H31FN6O2/c1-43-26-16-13-24(14-17-26)22-41-31(18-15-23-8-3-2-4-9-23)39-40-33(41)30(38-34(42)32-28(35)11-7-19-36-32)20-25-21-37-29-12-6-5-10-27(25)29/h2-14,16-17,19,21,30,37H,15,18,20,22H2,1H3,(H,38,42)/t30-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



CNRS-Universit£ Montpellier I et Universit£ Montpellier II

Curated by ChEMBL


Assay Description
Displacement of 125I-[His9]-ghrelin from human GHSR1a expressed in LLC-PK1 cells by competitive binding assay


Bioorg Med Chem Lett 25: 20-4 (2014)


Article DOI: 10.1016/j.bmcl.2014.11.031
BindingDB Entry DOI: 10.7270/Q2M90BDT
More data for this
Ligand-Target Pair
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