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Compile Data Set for Download or QSAR

Found 269 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=1/C34H38N4O4/c1-21(2)38-26-9-10-27(38)15-24(14-26)25-16-29(34(39)37-19-28-20-41-30-5-3-4-6-31(30)42-28)33(36-18-25)35-17-22-7-8-23-11-12-40-32(23)13-22/h3-8,13-14,16,18,21,26-28H,9-12,15,17,19-20H2,1-2H3,(H,35,36)(H,37,39)/t26-,27+,28-/s2
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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/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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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=1/C32H33ClN4O5/c1-19(38)37-17-22-3-6-25(37)12-23(9-22)24-13-26(32(39)36-15-20-4-7-28(40-2)27(33)10-20)31(35-16-24)34-14-21-5-8-29-30(11-21)42-18-41-29/h4-5,7-11,13,16,22,25H,3,6,12,14-15,17-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,25+/s2
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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=1/C34H36N4O5/c1-21(39)38-19-23-7-9-27(38)14-25(12-23)26-15-29(34(40)37-18-28-20-42-30-4-2-3-5-31(30)43-28)33(36-17-26)35-16-22-6-8-24-10-11-41-32(24)13-22/h2-6,8,12-13,15,17,23,27-28H,7,9-11,14,16,18-20H2,1H3,(H,35,36)(H,37,40)/t23-,27+,28-/s2
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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=1/C33H35ClN4O4/c1-20(39)38-19-23-4-7-27(38)14-25(11-23)26-15-28(33(40)37-17-21-5-8-30(41-2)29(34)12-21)32(36-18-26)35-16-22-3-6-24-9-10-42-31(24)13-22/h3,5-6,8,11-13,15,18,23,27H,4,7,9-10,14,16-17,19H2,1-2H3,(H,35,36)(H,37,40)/t23-,27+/s2
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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/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50226792
PNG
(4-(3-(1-benzhydryl-5-chloro-2-(2-((3,4-dichlorophe...)
Show SMILES OC(=O)c1ccc(CCCc2c(CCNS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C40H35Cl3N2O4S/c41-32-19-21-37-34(25-32)33(13-7-8-27-14-17-31(18-15-27)40(46)47)38(22-23-44-50(48,49)26-28-16-20-35(42)36(43)24-28)45(37)39(29-9-3-1-4-10-29)30-11-5-2-6-12-30/h1-6,9-12,14-21,24-25,39,44H,7-8,13,22-23,26H2,(H,46,47)
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n/an/a 0.540n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C33H34N4O5/c1-20(38)37-25-8-9-26(37)14-23(13-25)24-15-28(33(39)36-18-27-19-41-29-4-2-3-5-30(29)42-27)32(35-17-24)34-16-21-6-7-22-10-11-40-31(22)12-21/h2-7,12-13,15,17,25-27H,8-11,14,16,18-19H2,1H3,(H,34,35)(H,36,39)/t25-,26+,27-/s2
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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


()
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=1/C34H36N4O5/c1-21(39)38-19-23-7-9-27(38)14-25(12-23)26-15-29(34(40)37-18-28-20-42-30-4-2-3-5-31(30)43-28)33(36-17-26)35-16-22-6-8-24-10-11-41-32(24)13-22/h2-6,8,12-13,15,17,23,27-28H,7,9-11,14,16,18-20H2,1H3,(H,35,36)(H,37,40)/t23-,27+,28-/s2
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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


()
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=1/C33H36N4O4/c1-22(38)37-21-24-8-10-28(37)17-26(15-24)27-18-30(33(39)34-12-14-40-29-5-3-2-4-6-29)32(36-20-27)35-19-23-7-9-25-11-13-41-31(25)16-23/h2-7,9,15-16,18,20,24,28H,8,10-14,17,19,21H2,1H3,(H,34,39)(H,35,36)/t24-,28+/s2
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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/C29H29ClN4O5/c1-18(35)34-29(2,3)10-9-21-11-22(28(36)33-16-19-5-7-24(37-4)23(30)12-19)27(32-15-21)31-14-20-6-8-25-26(13-20)39-17-38-25/h5-8,11-13,15H,14,16-17H2,1-4H3,(H,31,32)(H,33,36)(H,34,35)
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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=1/C34H38N4O4/c1-21(2)38-26-9-10-27(38)15-24(14-26)25-16-29(34(39)37-19-28-20-41-30-5-3-4-6-31(30)42-28)33(36-18-25)35-17-22-7-8-23-11-12-40-32(23)13-22/h3-8,13-14,16,18,21,26-28H,9-12,15,17,19-20H2,1-2H3,(H,35,36)(H,37,39)/t26-,27+,28-/s2
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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=1/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-/s2
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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


()
BDBM50096215
PNG
(CHEMBL3593815)
Show SMILES Cc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)O)cc1C(F)F
Show InChI InChI=1S/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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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
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=1/C29H30N4O6/c34-29(32-13-22-16-35-24-3-1-2-4-26(24)39-22)23-10-19(33-14-20-6-7-21(15-33)38-20)12-31-28(23)30-11-18-5-8-25-27(9-18)37-17-36-25/h1-5,8-10,12,20-22H,6-7,11,13-17H2,(H,30,31)(H,32,34)/t20-,21+,22-/s2
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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


()
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=1/C32H33ClN4O5/c1-19(38)37-17-22-3-6-25(37)12-23(9-22)24-13-26(32(39)36-15-20-4-7-28(40-2)27(33)10-20)31(35-16-24)34-14-21-5-8-29-30(11-21)42-18-41-29/h4-5,7-11,13,16,22,25H,3,6,12,14-15,17-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,25+/s2
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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=1/C33H35ClN4O4/c1-20(39)38-19-23-4-7-27(38)14-25(11-23)26-15-28(33(40)37-17-21-5-8-30(41-2)29(34)12-21)32(36-18-26)35-16-22-3-6-24-9-10-42-31(24)13-22/h3,5-6,8,11-13,15,18,23,27H,4,7,9-10,14,16-17,19H2,1-2H3,(H,35,36)(H,37,40)/t23-,27+/s2
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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/C29H29ClN4O5/c1-18(35)34-29(2,3)10-9-21-11-22(28(36)33-16-19-5-7-24(37-4)23(30)12-19)27(32-15-21)31-14-20-6-8-25-26(13-20)39-17-38-25/h5-8,11-13,15H,14,16-17H2,1-4H3,(H,31,32)(H,33,36)(H,34,35)
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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=1/C29H25ClN4O4/c30-27-13-20(7-9-31-27)21-12-23(29(35)34-16-22-17-37-24-3-1-2-4-25(24)38-22)28(33-15-21)32-14-18-5-6-19-8-10-36-26(19)11-18/h1-7,9,11-13,15,22H,8,10,14,16-17H2,(H,32,33)(H,34,35)
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056707
PNG
(CHEMBL3326971)
Show SMILES CCCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C28H29NO3/c1-2-18-32-25-14-12-24(13-15-25)29-20-23(11-8-21-6-4-3-5-7-21)26-19-22(9-16-27(26)29)10-17-28(30)31/h3-7,9,12-16,19-20H,2,8,10-11,17-18H2,1H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50056741
PNG
(CHEMBL3327088)
Show SMILES CC(C)Oc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C28H29NO3/c1-20(2)32-25-14-12-24(13-15-25)29-19-23(11-8-21-6-4-3-5-7-21)26-18-22(9-16-27(26)29)10-17-28(30)31/h3-7,9,12-16,18-20H,8,10-11,17H2,1-2H3,(H,30,31)
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n/an/a 7n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C30H34N4O5/c1-19-16-34(17-20(2)38-19)23-12-25(30(35)33-15-24-18-37-26-5-3-4-6-27(26)39-24)29(32-14-23)31-13-21-7-8-22-9-10-36-28(22)11-21/h3-8,11-12,14,19-20,24H,9-10,13,15-18H2,1-2H3,(H,31,32)(H,33,35)/t19-,20+,24-/s2
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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
Chymase


(Homo sapiens (Human))
BDBM50452609
PNG
(CHEMBL4206099)
Show SMILES CC[C@@H](NC(=O)N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(C(O)=O)c(N)c1
Show InChI InChI=1S/C30H32ClN5O6/c1-3-25(18-9-11-23(29(38)39)24(32)15-18)34-30(40)36-17-27(35-42-22-7-5-4-6-8-22)33-16-20(28(36)37)13-19-14-21(31)10-12-26(19)41-2/h4-12,14-15,20,25H,3,13,16-17,32H2,1-2H3,(H,33,35)(H,34,40)(H,38,39)/t20-,25-/m1/s1
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n/an/a 8.90n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human chymase pre-incubated for 10 mins before Suc-Ala-Ala-Pro-Phe-MCA substrate addition and measured after 10 mins by flu...


Bioorg Med Chem Lett 28: 188-192 (2018)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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=1/C32H34N4O5/c1-21(37)36-19-23-7-9-26(36)15-24(13-23)25-16-28(32(38)33-11-12-39-27-5-3-2-4-6-27)31(35-18-25)34-17-22-8-10-29-30(14-22)41-20-40-29/h2-6,8,10,13-14,16,18,23,26H,7,9,11-12,15,17,19-20H2,1H3,(H,33,38)(H,34,35)/t23-,26+/s2
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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=1/C33H35ClN4O4/c1-20(39)38-19-23-4-7-27(38)14-25(11-23)26-15-28(33(40)37-17-21-5-8-30(41-2)29(34)12-21)32(36-18-26)35-16-22-3-6-24-9-10-42-31(24)13-22/h3,5-6,8,11-13,15,18,23,27H,4,7,9-10,14,16-17,19H2,1-2H3,(H,35,36)(H,37,40)/t23-,27+/s2
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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=1/C32H33ClN4O5/c1-19(38)37-17-22-3-6-25(37)12-23(9-22)24-13-26(32(39)36-15-20-4-7-28(40-2)27(33)10-20)31(35-16-24)34-14-21-5-8-29-30(11-21)42-18-41-29/h4-5,7-11,13,16,22,25H,3,6,12,14-15,17-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,25+/s2
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056712
PNG
(CHEMBL3326966)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c27-22-12-10-21(11-13-22)26-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)26)8-15-25(28)29/h1-5,7,10-14,16-17,27H,6,8-9,15H2,(H,28,29)
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n/an/a 11n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/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/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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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/C28H27F2N3O4/c1-17-4-5-18(10-21(17)25(29)30)15-33-27(34)22-11-20(8-9-28(2,3)35)14-32-26(22)31-13-19-6-7-23-24(12-19)37-16-36-23/h4-7,10-12,14,25,35H,13,15-16H2,1-3H3,(H,31,32)(H,33,34)
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056740
PNG
(CHEMBL3327089)
Show SMILES OCCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H27NO4.C4H11NO3/c29-16-17-32-24-12-10-23(11-13-24)28-19-22(9-6-20-4-2-1-3-5-20)25-18-21(7-14-26(25)28)8-15-27(30)31;5-4(1-6,2-7)3-8/h1-5,7,10-14,18-19,29H,6,8-9,15-17H2,(H,30,31);6-8H,1-3,5H2
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n/an/a 14n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50056708
PNG
(CHEMBL3326970)
Show SMILES CCOc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C27H27NO3.C4H11NO3/c1-2-31-24-14-12-23(13-15-24)28-19-22(11-8-20-6-4-3-5-7-20)25-18-21(9-16-26(25)28)10-17-27(29)30;5-4(1-6,2-7)3-8/h3-7,9,12-16,18-19H,2,8,10-11,17H2,1H3,(H,29,30);6-8H,1-3,5H2
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n/an/a 15n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
More data for this
Ligand-Target Pair
cPLA2 C2


(Homo sapiens (Human))
BDBM50056737
PNG
(CHEMBL3327092)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C31H27NO3.C4H11NO3/c33-31(34)20-13-24-12-19-30-29(21-24)25(14-11-23-7-3-1-4-8-23)22-32(30)26-15-17-28(18-16-26)35-27-9-5-2-6-10-27;5-4(1-6,2-7)3-8/h1-10,12,15-19,21-22H,11,13-14,20H2,(H,33,34);6-8H,1-3,5H2
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n/an/a 20n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C28H27N5O5/c1-2-33-15-20(13-32-33)19-10-22(28(34)31-14-21-16-35-23-5-3-4-6-25(23)38-21)27(30-12-19)29-11-18-7-8-24-26(9-18)37-17-36-24/h3-10,12-13,15,21H,2,11,14,16-17H2,1H3,(H,29,30)(H,31,34)/t21-/s2
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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/C29H29ClN4O5/c1-18(35)34-29(2,3)10-9-21-11-22(28(36)33-16-19-5-7-24(37-4)23(30)12-19)27(32-15-21)31-14-20-6-8-25-26(13-20)39-17-38-25/h5-8,11-13,15H,14,16-17H2,1-4H3,(H,31,32)(H,33,36)(H,34,35)
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056709
PNG
(CHEMBL3326969)
Show SMILES COc1ccc(cc1)-n1cc(CCc2ccccc2)c2cc(CCC(O)=O)ccc12
Show InChI InChI=1S/C26H25NO3.C4H11NO3/c1-30-23-13-11-22(12-14-23)27-18-21(10-7-19-5-3-2-4-6-19)24-17-20(8-15-25(24)27)9-16-26(28)29;5-4(1-6,2-7)3-8/h2-6,8,11-15,17-18H,7,9-10,16H2,1H3,(H,28,29);6-8H,1-3,5H2
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n/an/a 26n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C33H36N4O4/c1-22(38)37-21-24-8-10-28(37)17-26(15-24)27-18-30(33(39)34-12-14-40-29-5-3-2-4-6-29)32(36-20-27)35-19-23-7-9-25-11-13-41-31(25)16-23/h2-7,9,15-16,18,20,24,28H,8,10-14,17,19,21H2,1H3,(H,34,39)(H,35,36)/t24-,28+/s2
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056739
PNG
(CHEMBL3327090)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(OC(F)F)cc1
Show InChI InChI=1S/C26H23F2NO3.C4H11NO3/c27-26(28)32-22-12-10-21(11-13-22)29-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)29)8-15-25(30)31;5-4(1-6,2-7)3-8/h1-5,7,10-14,16-17,26H,6,8-9,15H2,(H,30,31);6-8H,1-3,5H2
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n/an/a 28n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C33H34N4O5/c1-20(38)37-25-8-9-26(37)14-23(13-25)24-15-28(33(39)36-18-27-19-41-29-4-2-3-5-30(29)42-27)32(35-17-24)34-16-21-6-7-22-10-11-40-31(22)12-21/h2-7,12-13,15,17,25-27H,8-11,14,16,18-19H2,1H3,(H,34,35)(H,36,39)/t25-,26+,27-/s2
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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=1/C32H33ClN4O5/c1-19(38)37-17-22-3-6-25(37)12-23(9-22)24-13-26(32(39)36-15-20-4-7-28(40-2)27(33)10-20)31(35-16-24)34-14-21-5-8-29-30(11-21)42-18-41-29/h4-5,7-11,13,16,22,25H,3,6,12,14-15,17-18H2,1-2H3,(H,34,35)(H,36,39)/t22-,25+/s2
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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/C29H29ClN4O5/c1-18(35)34-29(2,3)10-9-21-11-22(28(36)33-16-19-5-7-24(37-4)23(30)12-19)27(32-15-21)31-14-20-6-8-25-26(13-20)39-17-38-25/h5-8,11-13,15H,14,16-17H2,1-4H3,(H,31,32)(H,33,36)(H,34,35)
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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


(Homo sapiens (Human))
BDBM50094232
PNG
(CHEMBL3586024)
Show SMILES CCCn1cc(cn1)-c1cnc(NCc2ccc3OCOc3c2)c(c1)C(=O)NCC1COc2ccccc2O1
Show InChI InChI=1/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


()
BDBM50096214
PNG
(CHEMBL3593814)
Show SMILES COc1ccc(CNC(=O)c2cc(cnc2NCc2ccc3OCOc3c2)C#CC(C)(C)NC(C)=O)cc1Cl
Show InChI InChI=1S/C29H29ClN4O5/c1-18(35)34-29(2,3)10-9-21-11-22(28(36)33-16-19-5-7-24(37-4)23(30)12-19)27(32-15-21)31-14-20-6-8-25-26(13-20)39-17-38-25/h5-8,11-13,15H,14,16-17H2,1-4H3,(H,31,32)(H,33,36)(H,34,35)
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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
cPLA2 C2


(Homo sapiens (Human))
BDBM50056732
PNG
(CHEMBL3327094)
Show SMILES OC(=O)CCc1ccc2n(cc(CCc3ccccc3)c2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22ClNO2.C4H11NO3/c26-21-10-12-22(13-11-21)27-17-20(9-6-18-4-2-1-3-5-18)23-16-19(7-14-24(23)27)8-15-25(28)29;5-4(1-6,2-7)3-8/h1-5,7,10-14,16-17H,6,8-9,15H2,(H,28,29);6-8H,1-3,5H2
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n/an/a 36n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of cPLA2alpha isolated from human U937 cell cytoplasm assessed as suppression of [14C]arachidonic acid release from L-alpha-1-palmitoyl-2-...


J Med Chem 57: 7244-62 (2014)


Article DOI: 10.1021/jm500494y
BindingDB Entry DOI: 10.7270/Q2F47QSP
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=1/C30H30N4O6/c1-19(35)34-10-8-21(9-11-34)22-13-24(30(36)33-16-23-17-37-25-4-2-3-5-27(25)40-23)29(32-15-22)31-14-20-6-7-26-28(12-20)39-18-38-26/h2-8,12-13,15,23H,9-11,14,16-18H2,1H3,(H,31,32)(H,33,36)/t23-/s2
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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


()
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=1/C34H36N4O5/c1-21(39)38-19-23-7-9-27(38)14-25(12-23)26-15-29(34(40)37-18-28-20-42-30-4-2-3-5-31(30)43-28)33(36-17-26)35-16-22-6-8-24-10-11-41-32(24)13-22/h2-6,8,12-13,15,17,23,27-28H,7,9-11,14,16,18-20H2,1H3,(H,35,36)(H,37,40)/t23-,27+,28-/s2
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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


()
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=1/C33H34N4O5/c1-20(38)37-25-8-9-26(37)14-23(13-25)24-15-28(33(39)36-18-27-19-41-29-4-2-3-5-30(29)42-27)32(35-17-24)34-16-21-6-7-22-10-11-40-31(22)12-21/h2-7,12-13,15,17,25-27H,8-11,14,16,18-19H2,1H3,(H,34,35)(H,36,39)/t25-,26+,27-/s2
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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


(Homo sapiens (Human))
BDBM50094228
PNG
(CHEMBL3586028)
Show SMILES O=C(NC[C@H]1COc2ccccc2O1)c1cc(cnc1NCc1ccc2OCOc2c1)N1CCOCC1
Show InChI InChI=1/C27H28N4O6/c32-27(30-15-20-16-34-22-3-1-2-4-24(22)37-20)21-12-19(31-7-9-33-10-8-31)14-29-26(21)28-13-18-5-6-23-25(11-18)36-17-35-23/h1-6,11-12,14,20H,7-10,13,15-17H2,(H,28,29)(H,30,32)/t20-/s2
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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
Chymase


(Homo sapiens (Human))
BDBM50452608
PNG
(CHEMBL4210939)
Show SMILES CC[C@@H](NC(=O)N1C\C(NC[C@@H](Cc2cc(Cl)ccc2OC)C1=O)=N\Oc1ccccc1)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C30H31ClN4O6/c1-3-25(19-9-11-20(12-10-19)29(37)38)33-30(39)35-18-27(34-41-24-7-5-4-6-8-24)32-17-22(28(35)36)15-21-16-23(31)13-14-26(21)40-2/h4-14,16,22,25H,3,15,17-18H2,1-2H3,(H,32,34)(H,33,39)(H,37,38)/t22-,25-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human chymase pre-incubated for 10 mins before Suc-Ala-Ala-Pro-Phe-MCA substrate addition and measured after 10 mins by flu...


Bioorg Med Chem Lett 28: 188-192 (2018)

More data for this
Ligand-Target Pair
Kallikrein 7


(Homo sapiens (Human))
BDBM50275974
PNG
(CHEMBL4126936)
Show SMILES COc1ccc(Cl)cc1C[C@@H]1CN\C(CN([C@@H](C)C(=O)Nc2cccc(c2)-c2cnn(C)c2)C1=O)=N/N(C)C
Show InChI InChI=1S/C28H34ClN7O3/c1-18(27(37)32-24-8-6-7-19(13-24)22-15-31-35(4)16-22)36-17-26(33-34(2)3)30-14-21(28(36)38)11-20-12-23(29)9-10-25(20)39-5/h6-10,12-13,15-16,18,21H,11,14,17H2,1-5H3,(H,30,33)(H,32,37)/t18-,21+/m0/s1
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n/an/a 58n/an/an/an/an/an/a



Asubio Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of recombinant human C-terminal His10-tagged KLK7 (E23 to H252 residues) using MOCAcArg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as su...


Bioorg Med Chem 26: 3639-3653 (2018)

More data for this
Ligand-Target Pair
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