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PubMed code 26100441

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 0.280n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O6S/c1-5-22(2)31-30(41)21-38-17-11-10-16-29(38)34(44)35-26(14-7-6-12-18-46-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-15-9-8-13-25(24)28/h8-9,13,15,20,22,26-27,29,31H,5-7,10-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting metho...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NC[C@H]1COc3ccccc3O1)N(C2)C(C)=O |r,c:7,TLB:9:7:40.41:3.2,THB:42:40:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O7/c1-5-22(2)31-29(40)21-38-18-12-11-16-28(38)34(44)35-25(14-7-6-8-17-30(41)45-3)32(42)36-26(33(43)37-31)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,5-8,11-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,25-,26-,28+,31-/m0/s1
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n/an/a 0.390n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting metho...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C35H50FN5O6/c1-5-22(3)32-31(43)21-40-18-12-11-17-29(40)35(46)37-26(15-9-8-14-25(36)30(42)6-2)33(44)38-27(34(45)39-32)19-23-20-41(47-4)28-16-10-7-13-24(23)28/h7,10,13,16,20,22,25-27,29,32H,5-6,8-9,11-12,14-15,17-19,21H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t22?,25?,26-,27-,29+,32-/m0/s1
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n/an/a 0.420n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting metho...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 0.440n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting metho...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NC[C@H]1COc3ccccc3O1)N(C2)C(C)=O |r,c:7,TLB:9:7:40.41:3.2,THB:42:40:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O7/c1-5-22(2)31-29(40)21-38-18-12-11-16-28(38)34(44)35-25(14-7-6-8-17-30(41)45-3)32(42)36-26(33(43)37-31)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,5-8,11-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,25-,26-,28+,31-/m0/s1
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n/an/a 0.960n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096218
PNG
(CHEMBL3593633)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NCCOc1ccccc1)N(C2)C(C)=O |r,c:7,TLB:9:7:38.39:3.2,THB:40:38:3.2:7.6.8|
Show InChI InChI=1S/C35H49N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22,26-27,29,32H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,26-,27-,29+,32-/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C33H49N5O5S/c1-5-22(2)30-29(39)21-37-17-11-10-16-28(37)33(42)34-25(14-7-6-12-18-44-4)31(40)35-26(32(41)36-30)19-23-20-38(43-3)27-15-9-8-13-24(23)27/h8-9,13,15,20,22,25-26,28,30H,5-7,10-12,14,16-19,21H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from human ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting metho...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 5.40n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O6S/c1-5-22(2)31-30(41)21-38-17-11-10-16-29(38)34(44)35-26(14-7-6-12-18-46-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-15-9-8-13-25(24)28/h8-9,13,15,20,22,26-27,29,31H,5-7,10-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1
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n/an/a 5.60n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C35H50FN5O6/c1-5-22(3)32-31(43)21-40-18-12-11-17-29(40)35(46)37-26(15-9-8-14-25(36)30(42)6-2)33(44)38-27(34(45)39-32)19-23-20-41(47-4)28-16-10-7-13-24(23)28/h7,10,13,16,20,22,25-27,29,32H,5-6,8-9,11-12,14-15,17-19,21H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t22?,25?,26-,27-,29+,32-/m0/s1
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n/an/a 5.90n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C33H49N5O5S/c1-5-22(2)30-29(39)21-37-17-11-10-16-28(37)33(42)34-25(14-7-6-12-18-44-4)31(40)35-26(32(41)36-30)19-23-20-38(43-3)27-15-9-8-13-24(23)27/h8-9,13,15,20,22,25-26,28,30H,5-7,10-12,14,16-19,21H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 6.60n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096219
PNG
(CHEMBL3593634)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCCOc1ccccc1)N(C2)C(C)=O |r,c:7,TLB:9:7:38.39:3.2,THB:40:38:3.2:7.6.8|
Show InChI InChI=1S/C35H50FN5O6/c1-5-22(2)32-31(43)21-40-18-12-11-16-29(40)35(46)37-26(14-7-6-8-17-30(42)23(3)36)33(44)38-27(34(45)39-32)19-24-20-41(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32H,5-8,11-12,14,16-19,21H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 9.10n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [125I]human ghrelin from rat ghrelin receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C35H50FN5O6/c1-5-22(3)32-31(43)21-40-18-12-11-17-29(40)35(46)37-26(15-9-8-14-25(36)30(42)6-2)33(44)38-27(34(45)39-32)19-23-20-41(47-4)28-16-10-7-13-24(23)28/h7,10,13,16,20,22,25-27,29,32H,5-6,8-9,11-12,14-15,17-19,21H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t22?,25?,26-,27-,29+,32-/m0/s1
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n/an/a 9.40n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O6S/c1-5-22(2)31-30(41)21-38-17-11-10-16-29(38)34(44)35-26(14-7-6-12-18-46-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-15-9-8-13-25(24)28/h8-9,13,15,20,22,26-27,29,31H,5-7,10-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1
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n/an/a 9.80n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at ghrelin receptor in Sprague-Dawley rat primary pituitary cells assessed as inhibition of ghrelin-induced growth hormone secret...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C35H51N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32,41H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat ghrelin receptor expressed in CHO cells assessed as blocking of human ghrelin-induced response by FLIPR based intracellula...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C33H49N5O5S/c1-5-22(2)30-29(39)21-37-17-11-10-16-28(37)33(42)34-25(14-7-6-12-18-44-4)31(40)35-26(32(41)36-30)19-23-20-38(43-3)27-15-9-8-13-24(23)27/h8-9,13,15,20,22,25-26,28,30H,5-7,10-12,14,16-19,21H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 26n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096218
PNG
(CHEMBL3593633)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NCCOc1ccccc1)N(C2)C(C)=O |r,c:7,TLB:9:7:38.39:3.2,THB:40:38:3.2:7.6.8|
Show InChI InChI=1S/C35H49N5O7/c1-5-22(2)32-31(43)21-39-18-12-11-16-29(39)35(46)36-26(14-7-6-8-17-30(42)23(3)41)33(44)37-27(34(45)38-32)19-24-20-40(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22,26-27,29,32H,5-8,11-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,26-,27-,29+,32-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O6S/c1-5-22(2)31-30(41)21-38-17-11-10-16-29(38)34(44)35-26(14-7-6-12-18-46-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-15-9-8-13-25(24)28/h8-9,13,15,20,22,26-27,29,31H,5-7,10-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1
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n/an/a 33n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at ghrelin receptor in Sprague-Dawley rat primary pituitary cells assessed as inhibition of ghrelin-induced growth hormone secret...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C33H49N5O5S/c1-5-22(2)30-29(39)21-37-17-11-10-16-28(37)33(42)34-25(14-7-6-12-18-44-4)31(40)35-26(32(41)36-30)19-23-20-38(43-3)27-15-9-8-13-24(23)27/h8-9,13,15,20,22,25-26,28,30H,5-7,10-12,14,16-19,21H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 34n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat ghrelin receptor expressed in CHO cells assessed as blocking of human ghrelin-induced response by FLIPR based intracellula...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C33H49N5O5S/c1-5-22(2)30-29(39)21-37-17-11-10-16-28(37)33(42)34-25(14-7-6-12-18-44-4)31(40)35-26(32(41)36-30)19-23-20-38(43-3)27-15-9-8-13-24(23)27/h8-9,13,15,20,22,25-26,28,30H,5-7,10-12,14,16-19,21H2,1-4H3,(H,34,42)(H,35,40)(H,36,41)/t22?,25-,26-,28+,30-/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at ghrelin receptor in Sprague-Dawley rat primary pituitary cells assessed as inhibition of ghrelin-induced growth hormone secret...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4CCOc4c3)c(c1)C(=O)NC[C@H]1COc3ccccc3O1)N(C2)C(C)=O |r,c:7,TLB:9:7:40.41:3.2,THB:42:40:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O7/c1-5-22(2)31-29(40)21-38-18-12-11-16-28(38)34(44)35-25(14-7-6-8-17-30(41)45-3)32(42)36-26(33(43)37-31)19-23-20-39(46-4)27-15-10-9-13-24(23)27/h9-10,13,15,20,22,25-26,28,31H,5-8,11-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,25-,26-,28+,31-/m0/s1
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n/an/a 47n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096219
PNG
(CHEMBL3593634)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCCOc1ccccc1)N(C2)C(C)=O |r,c:7,TLB:9:7:38.39:3.2,THB:40:38:3.2:7.6.8|
Show InChI InChI=1S/C35H50FN5O6/c1-5-22(2)32-31(43)21-40-18-12-11-16-29(40)35(46)37-26(14-7-6-8-17-30(42)23(3)36)33(44)38-27(34(45)39-32)19-24-20-41(47-4)28-15-10-9-13-25(24)28/h9-10,13,15,20,22-23,26-27,29,32H,5-8,11-12,14,16-19,21H2,1-4H3,(H,37,46)(H,38,44)(H,39,45)/t22?,23?,26-,27-,29+,32-/m0/s1
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n/an/a 80n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity rat ghrelin receptor expressed in HEK293 cells by luciferase reporter gene assay

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Rattus norvegicus)		BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES [H][C@]12CC[C@]([H])(CC(=C1)c1cnc(NCc3ccc4OCOc4c3)c(c1)C(=O)NCc1ccc(OC)c(Cl)c1)N(C2)C(C)=O |r,c:7,TLB:9:7:39.40:3.2,THB:41:39:3.2:7.6.8|
Show InChI InChI=1S/C34H49N5O6S/c1-5-22(2)31-30(41)21-38-17-11-10-16-29(38)34(44)35-26(14-7-6-12-18-46-23(3)40)32(42)36-27(33(43)37-31)19-24-20-39(45-4)28-15-9-8-13-25(24)28/h8-9,13,15,20,22,26-27,29,31H,5-7,10-12,14,16-19,21H2,1-4H3,(H,35,44)(H,36,42)(H,37,43)/t22?,26-,27-,29+,31-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at rat ghrelin receptor expressed in CHO cells assessed as blocking of human ghrelin-induced response by FLIPR based intracellula...

Bioorg Med Chem 23: 4792-803 (2015)


Article DOI: 10.1016/j.bmc.2015.05.047
BindingDB Entry DOI: 10.7270/Q2D220CQ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%