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Compile Data Set for Download or QSAR

Found 98 hits from Asubio Pharma Co., Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(Homo sapiens (human))
BDBM50094223
PNG
(CHEMBL3586033)
Show SMILES CC(C)N1[C@@H]2CC[C@H]1C=C(C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H44O2/c1-4-6-8-20(5-2)9-7-16-28(30)18-15-26-25-12-10-21-19-22(29)11-13-23(21)24(25)14-17-27(26,28)3/h11,13,19-20,24-26,29-30H,4-10,12,14-18H2,1-3H3/t20?,24?,25?,26?,27-,28-/m0/s1
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n/an/a 0.230n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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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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
Ghrelin receptor


(Homo sapiens (human))
BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3CCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


(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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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
Ghrelin receptor


()
BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094224
PNG
(CHEMBL3586032)
Show SMILES CC(=O)N1[C@@H]2CC[C@H]1C=C(C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-17-28(30)19-16-26-25-13-11-21-20-22(29)12-14-23(21)24(25)15-18-27(26,28)2/h12,14,20,24-26,29-30H,3-11,13,15-19H2,1-2H3/t24?,25?,26?,27-,28-/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
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096218
PNG
(CHEMBL3593633)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NCCOc1ccccc1
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
Ghrelin receptor


(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
Ghrelin receptor


()
BDBM50094223
PNG
(CHEMBL3586033)
Show SMILES CC(C)N1[C@@H]2CC[C@H]1C=C(C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H44O2/c1-4-6-8-20(5-2)9-7-16-28(30)18-15-26-25-12-10-21-19-22(29)11-13-23(21)24(25)14-17-27(26,28)3/h11,13,19-20,24-26,29-30H,4-10,12,14-18H2,1-3H3/t20?,24?,25?,26?,27-,28-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50097492
PNG
(CHEMBL3586019)
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](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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n/an/a 5.20n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor by inositol phosphate turnover assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094226
PNG
(CHEMBL3586030)
Show SMILES O=C(NC[C@H]1COc2ccccc2O1)c1cc(cnc1NCc1ccc2OCOc2c1)N1C[C@@H]2CC[C@H](C1)O2
Show InChI InChI=1S/C29H32O2/c1-28-15-13-25-24-12-10-22(30)17-20(24)9-11-26(25)27(28)14-16-29(28,31)18-21-7-4-6-19-5-2-3-8-23(19)21/h2-8,10,12,17,25-27,30-31H,9,11,13-16,18H2,1H3/t25?,26?,27?,28-,29+/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 at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
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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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
Ghrelin receptor


()
BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


()
BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3CCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


()
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094229
PNG
(CHEMBL3586027)
Show SMILES Clc1cc(ccn1)-c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C19H19N3O2/c1-24-15-6-4-5-13(11-15)18-20-17-8-7-14(22-9-2-3-10-22)12-16(17)19(23)21-18/h4-8,11-12H,2-3,9-10H2,1H3,(H,20,21,23)
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n/an/a 6.90n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094227
PNG
(CHEMBL3586029)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C16H14N2O3/c1-20-11-7-10(8-12(9-11)21-2)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-9H,1-2H3,(H,17,18,19)
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n/an/a 7.20n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096219
PNG
(CHEMBL3593634)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCCOc1ccccc1
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
Ghrelin receptor


()
BDBM50096220
PNG
(CHEMBL3593635)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3CCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


()
BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094233
PNG
(CHEMBL3586023)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C30H31N5O4/c1-2-10-35-18-23(16-34-35)22-13-25(30(36)33-17-24-19-38-26-5-3-4-6-27(26)39-24)29(32-15-22)31-14-20-7-8-21-9-11-37-28(21)12-20/h3-8,12-13,15-16,18,24H,2,9-11,14,17,19H2,1H3,(H,31,32)(H,33,36)
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n/an/a 11n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
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
Ghrelin receptor


()
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094230
PNG
(CHEMBL3586026)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 24n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
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
Ghrelin receptor


()
BDBM50096218
PNG
(CHEMBL3593633)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NCCOc1ccccc1
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094224
PNG
(CHEMBL3586032)
Show SMILES CC(=O)N1[C@@H]2CC[C@H]1C=C(C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-17-28(30)19-16-26-25-13-11-21-20-22(29)12-14-23(21)24(25)15-18-27(26,28)2/h12,14,20,24-26,29-30H,3-11,13,15-19H2,1-2H3/t24?,25?,26?,27-,28-/m0/s1
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n/an/a 31n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity against ghrelin receptor (unknown origin) expressed in CHO cells assessed as inhibition of ghrelin-induced calcium response


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


()
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
Ghrelin receptor


()
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094232
PNG
(CHEMBL3586024)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C29H29N5O5/c1-2-9-34-16-21(14-33-34)20-11-23(29(35)32-15-22-17-36-24-5-3-4-6-26(24)39-22)28(31-13-20)30-12-19-7-8-25-27(10-19)38-18-37-25/h3-8,10-11,13-14,16,22H,2,9,12,15,17-18H2,1H3,(H,30,31)(H,32,35)
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n/an/a 36n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094225
PNG
(CHEMBL3586031)
Show SMILES CC(=O)N1CCC(=CC1)c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C32H36O3/c1-31-17-15-28-27-14-10-25(33)19-24(27)9-13-29(28)30(31)16-18-32(31,34)20-22-7-11-26(12-8-22)35-21-23-5-3-2-4-6-23/h2-8,10-12,14,19,28-30,33-34H,9,13,15-18,20-21H2,1H3/t28?,29?,30?,31-,32+/m0/s1
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n/an/a 42n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094224
PNG
(CHEMBL3586032)
Show SMILES CC(=O)N1[C@@H]2CC[C@H]1C=C(C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C28H44O2/c1-3-4-5-6-7-8-9-10-17-28(30)19-16-26-25-13-11-21-20-22(29)12-14-23(21)24(25)15-18-27(26,28)2/h12,14,20,24-26,29-30H,3-11,13,15-19H2,1-2H3/t24?,25?,26?,27-,28-/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 at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096217
PNG
(CHEMBL3593632)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094228
PNG
(CHEMBL3586028)
Show SMILES O=C(NC[C@H]1COc2ccccc2O1)c1cc(cnc1NCc1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1S/C17H17N3O2/c1-20(2)12-7-8-15-14(10-12)17(21)19-16(18-15)11-5-4-6-13(9-11)22-3/h4-10H,1-3H3,(H,18,19,21)
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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 at rat ghrelin receptor expressed in HEK293 cells by NFAT-RE-luciferase reporter gene assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096219
PNG
(CHEMBL3593634)
Show SMILES CC(=O)N1C[C@H]2CC[C@@H]1CC(=C2)c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCCOc1ccccc1
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50094236
PNG
(CHEMBL3586020)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3sccc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C17H16N2O4/c1-21-11-6-4-5-10(7-11)16-18-13-9-15(23-3)14(22-2)8-12(13)17(20)19-16/h4-9H,1-3H3,(H,18,19,20)
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n/an/a 84n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50096216
PNG
(CHEMBL3593636)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C2=C[C@@H]3CC[C@H](C2)N(C3)C(C)=O)cc1Cl
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
Ghrelin receptor


()
BDBM50094230
PNG
(CHEMBL3586026)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-11-6-4-5-10(9-11)14-16-13-8-3-2-7-12(13)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 110n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094233
PNG
(CHEMBL3586023)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3CCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C30H31N5O4/c1-2-10-35-18-23(16-34-35)22-13-25(30(36)33-17-24-19-38-26-5-3-4-6-27(26)39-24)29(32-15-22)31-14-20-7-8-21-9-11-37-28(21)12-20/h3-8,12-13,15-16,18,24H,2,9-11,14,17,19H2,1H3,(H,31,32)(H,33,36)
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n/an/a 140n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50097492
PNG
(CHEMBL3586019)
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](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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n/an/a 146n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat ghrelin receptor expressed in HEK293 cells by inositol phosphate turnover assay


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094235
PNG
(CHEMBL3586021)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3occc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C21H23N3O2/c1-14-8-10-24(11-9-14)16-6-7-19-18(13-16)21(25)23-20(22-19)15-4-3-5-17(12-15)26-2/h3-7,12-14H,8-11H2,1-2H3,(H,22,23,25)
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n/an/a 150n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50094232
PNG
(CHEMBL3586024)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C29H29N5O5/c1-2-9-34-16-21(14-33-34)20-11-23(29(35)32-15-22-17-36-24-5-3-4-6-26(24)39-22)28(31-13-20)30-12-19-7-8-25-27(10-19)38-18-37-25/h3-8,10-11,13-14,16,22H,2,9,12,15,17-18H2,1H3,(H,30,31)(H,32,35)
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n/an/a 170n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094231
PNG
(CHEMBL3586025)
Show SMILES CCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NC[C@@H]1COc2ccccc2O1
Show InChI InChI=1S/C15H12N2O2/c1-19-13-9-5-3-7-11(13)14-16-12-8-4-2-6-10(12)15(18)17-14/h2-9H,1H3,(H,16,17,18)
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n/an/a 180n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


()
BDBM50097492
PNG
(CHEMBL3586019)
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](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(N)=N)C(N)=O
Show InChI InChI=1S/C79H109N19O12/c1-46(2)38-59(68(83)100)91-70(102)60(39-47(3)4)92-73(105)64(43-51-45-88-56-28-14-12-25-53(51)56)95-72(104)61(40-48-20-7-5-8-21-48)93-74(106)63(42-50-44-87-55-27-13-11-24-52(50)55)94-69(101)57(32-33-67(82)99)89-71(103)62(41-49-22-9-6-10-23-49)96-76(108)66-31-19-37-98(66)78(110)58(29-15-16-34-80)90-75(107)65-30-18-36-97(65)77(109)54(81)26-17-35-86-79(84)85/h5-14,20-25,27-28,44-47,54,57-66,87-88H,15-19,26,29-43,80-81H2,1-4H3,(H2,82,99)(H2,83,100)(H,89,103)(H,90,107)(H,91,102)(H,92,105)(H,93,106)(H,94,101)(H,95,104)(H,96,108)(H4,84,85,86)/t54-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (human))
BDBM50094234
PNG
(CHEMBL3586022)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3ncsc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1S/C15H11FN2O2/c1-20-11-4-2-3-9(7-11)14-17-13-6-5-10(16)8-12(13)15(19)18-14/h2-8H,1H3,(H,17,18,19)
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n/an/a 260n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity to ghrelin receptor (unknown origin)


Bioorg Med Chem Lett 25: 2707-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.040
BindingDB Entry DOI: 10.7270/Q2RJ4M6M
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM100750
PNG
(CHEMBL2397003 | US8507714, 239)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NCC(Cc2cc(Cl)ccc2OC)C1=O)C(=O)Nc1nnn[nH]1
Show InChI InChI=1S/C19H23ClN8O5/c1-3-13(16(30)23-18-24-26-27-25-18)22-19(32)28-9-15(29)21-8-11(17(28)31)6-10-7-12(20)4-5-14(10)33-2/h4-5,7,11,13H,3,6,8-9H2,1-2H3,(H,21,29)(H,22,32)(H2,23,24,25,26,27,30)/t11?,13-/m1/s1
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n/an/a 260n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase using Suc-Ala-Ala-Pro-Phe-MCA as substrate assessed as AMC formation preincubated for 10 mins followed by sub...


Bioorg Med Chem 21: 4233-49 (2013)


Article DOI: 10.1016/j.bmc.2013.04.079
BindingDB Entry DOI: 10.7270/Q2CF9RHR
More data for this
Ligand-Target Pair
Chymase


(Homo sapiens (human))
BDBM50210730
PNG
(4-((R)-1-((R)-6-(5-chloro-2-methoxybenzyl)-2,5-dio...)
Show SMILES CC[C@@H](NC(=O)N1CC(=O)NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C24H27ClN4O6/c1-3-19(13-4-6-17(23(32)33)18(26)10-13)28-24(34)29-12-21(30)27-11-15(22(29)31)8-14-9-16(25)5-7-20(14)35-2/h4-7,9-10,15,19H,3,8,11-12,26H2,1-2H3,(H,27,30)(H,28,34)(H,32,33)/t15-,19-/m1/s1
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant chymase using Suc-Ala-Ala-Pro-Phe-MCA as substrate assessed as AMC formation preincubated for 10 mins followed by sub...


Bioorg Med Chem 21: 4233-49 (2013)


Article DOI: 10.1016/j.bmc.2013.04.079
BindingDB Entry DOI: 10.7270/Q2CF9RHR
More data for this
Ligand-Target Pair
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