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Compile Data Set for Download or QSAR

Found 881 hits of ec50 data for polymerid = 1991   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412965
PNG
(CHEMBL480821)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H26FN3O4S/c1-14-5-8-20(29-14)17-7-6-16(12-18(17)22)30(27,28)25-10-3-2-4-19(25)21(26)24-11-9-15(23)13-24/h5-8,12,15,19H,2-4,9-11,13,23H2,1H3/t15-,19+/m1/s1
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n/an/an/an/a 0.0501n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50280856
PNG
(CHEMBL4172656)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-16-9-10-21-18(12-16)14-23(28-21)25(31)29-22-13-17-6-3-4-8-20(17)24(22)26(32)27-19-7-5-11-30(2)15-19/h3-4,6,8-10,12,14,19,22,24,28H,5,7,11,13,15H2,1-2H3,(H,27,32)(H,29,31)/t19-,22-,24-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats


J Med Chem 61: 5974-5987 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50280856
PNG
(CHEMBL4172656)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@@H]1[C@H](Cc2ccccc12)NC(=O)c1cc2cc(C)ccc2[nH]1 |r|
Show InChI InChI=1S/C26H30N4O2/c1-16-9-10-21-18(12-16)14-23(28-21)25(31)29-22-13-17-6-3-4-8-20(17)24(22)26(32)27-19-7-5-11-30(2)15-19/h3-4,6,8-10,12,14,19,22,24,28H,5,7,11,13,15H2,1-2H3,(H,27,32)(H,29,31)/t19-,22-,24-/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis


J Med Chem 61: 5974-5987 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544367
PNG
(CHEMBL4641513)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C28H34ClN5O4S/c1-18-9-10-23-19(14-18)15-25(31-23)28(36)32-24-11-13-34(39(37,38)26-8-4-3-7-22(26)29)17-21(24)27(35)30-20-6-5-12-33(2)16-20/h3-4,7-10,14-15,20-21,24,31H,5-6,11-13,16-17H2,1-2H3,(H,30,35)(H,32,36)/t20-,21-,24-/m0/s1
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n/an/an/an/a 0.145n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412954
PNG
(CHEMBL251572 | SB-791016 | SB-791016A)
Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H28N4O3S2/c1-16-14-27(15-17(2)26-16)21-13-20-18(12-22(21)31-3)9-11-28(20)33(29,30)24-8-7-23(32-24)19-6-4-5-10-25-19/h4-8,10,12-13,16-17,26H,9,11,14-15H2,1-3H3/t16-,17+
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412966
PNG
(CHEMBL481013)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N)C1 |r|
Show InChI InChI=1S/C21H26FN3O4S/c1-14-5-8-20(29-14)17-7-6-16(12-18(17)22)30(27,28)25-10-3-2-4-19(25)21(26)24-11-9-15(23)13-24/h5-8,12,15,19H,2-4,9-11,13,23H2,1H3/t15-,19-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412954
PNG
(CHEMBL251572 | SB-791016 | SB-791016A)
Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(s1)-c1ccccn1 |r|
Show InChI InChI=1S/C24H28N4O3S2/c1-16-14-27(15-17(2)26-16)21-13-20-18(12-22(21)31-3)9-11-28(20)33(29,30)24-8-7-23(32-24)19-6-4-5-10-25-19/h4-8,10,12-13,16-17,26H,9,11,14-15H2,1-3H3/t16-,17+
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n/an/an/an/a 0.158n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GSHR by FLIPR assay


Bioorg Med Chem Lett 17: 6584-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544367
PNG
(CHEMBL4641513)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(CC[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C28H34ClN5O4S/c1-18-9-10-23-19(14-18)15-25(31-23)28(36)32-24-11-13-34(39(37,38)26-8-4-3-7-22(26)29)17-21(24)27(35)30-20-6-5-12-33(2)16-20/h3-4,7-10,14-15,20-21,24,31H,5-6,11-13,16-17H2,1-2H3,(H,30,35)(H,32,36)/t20-,21-,24-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544361
PNG
(CHEMBL4635542)
Show SMILES CN1CCC[C@H]1CNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-15-20-7-6-12-31(20)2/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22-,25-/m0/s1
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n/an/an/an/a 0.158n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544361
PNG
(CHEMBL4635542)
Show SMILES CN1CCC[C@H]1CNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-15-20-7-6-12-31(20)2/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22-,25-/m0/s1
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n/an/an/an/a 0.168n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50477764
PNG
(CHEMBL401134)
Show SMILES COc1cc2CCN(c2cc1N1C[C@H](C)N[C@H](C)C1)S(=O)(=O)c1ccc(cc1)-c1ccccn1
Show InChI InChI=1S/C26H30N4O3S/c1-18-16-29(17-19(2)28-18)25-15-24-21(14-26(25)33-3)11-13-30(24)34(31,32)22-9-7-20(8-10-22)23-6-4-5-12-27-23/h4-10,12,14-15,18-19,28H,11,13,16-17H2,1-3H3/t18-,19+
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at GSHR by FLIPR assay


Bioorg Med Chem Lett 17: 6584-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.067
BindingDB Entry DOI: 10.7270/Q2MW2KX2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544368
PNG
(CHEMBL4638297)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CCN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H32ClN5O4S/c1-17-8-9-22-18(13-17)14-24(31-22)27(35)32-23-10-12-33(38(36,37)25-7-3-2-6-21(25)28)16-20(23)26(34)30-19-5-4-11-29-15-19/h2-3,6-9,13-14,19-20,23,29,31H,4-5,10-12,15-16H2,1H3,(H,30,34)(H,32,35)/t19-,20-,23-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50376760
PNG
(CHEMBL410074)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCS(=O)(=O)CCO
Show InChI InChI=1S/C22H35N7O6S/c1-22(2,23)21(32)25-18(16-35-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-36(33,34)14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412978
PNG
(CHEMBL518774)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CC[C@H](O)[C@H]1C(=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H24FN3O5S/c1-12-2-5-18(29-12)15-4-3-14(10-16(15)21)30(27,28)24-9-7-17(25)19(24)20(26)23-8-6-13(22)11-23/h2-5,10,13,17,19,25H,6-9,11,22H2,1H3/t13-,17+,19+/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50376783
PNG
(CHEMBL259166)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCSCCO
Show InChI InChI=1S/C22H35N7O4S/c1-22(2,23)21(32)25-18(16-33-15-17-7-4-3-5-8-17)20-26-27-28-29(20)11-6-9-19(31)24-10-13-34-14-12-30/h3-5,7-8,18,30H,6,9-16,23H2,1-2H3,(H,24,31)(H,25,32)/t18-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50376781
PNG
(CHEMBL410085)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1CCCC(=O)NCCc1cccc(O)c1
Show InChI InChI=1S/C26H35N7O4/c1-26(2,27)25(36)29-22(18-37-17-20-8-4-3-5-9-20)24-30-31-32-33(24)15-7-12-23(35)28-14-13-19-10-6-11-21(34)16-19/h3-6,8-11,16,22,34H,7,12-15,17-18,27H2,1-2H3,(H,28,35)(H,29,36)/t22-/m1/s1
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n/an/an/an/a 0.200n/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 cells by FLIPR assay


Bioorg Med Chem Lett 18: 2536-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.059
BindingDB Entry DOI: 10.7270/Q2T43V0X
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544368
PNG
(CHEMBL4638297)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CCN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1Cl |r|
Show InChI InChI=1S/C27H32ClN5O4S/c1-17-8-9-22-18(13-17)14-24(31-22)27(35)32-23-10-12-33(38(36,37)25-7-3-2-6-21(25)28)16-20(23)26(34)30-19-5-4-11-29-15-19/h2-3,6-9,13-14,19-20,23,29,31H,4-5,10-12,15-16H2,1H3,(H,30,34)(H,32,35)/t19-,20-,23-/m0/s1
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n/an/an/an/a 0.210n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544379
PNG
(CHEMBL4643530)
Show SMILES Clc1ccc(-c2cc(no2)C(=O)N[C@H]2CN(C[C@@H]2C(=O)N[C@H]2CCCNC2)S(=O)(=O)c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H27Cl2N5O5S/c27-16-8-9-19(21(28)11-16)24-12-22(32-38-24)26(35)31-23-15-33(39(36,37)18-6-2-1-3-7-18)14-20(23)25(34)30-17-5-4-10-29-13-17/h1-3,6-9,11-12,17,20,23,29H,4-5,10,13-15H2,(H,30,34)(H,31,35)/t17-,20-,23-/m0/s1
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n/an/an/an/a 0.235n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412963
PNG
(CHEMBL481796)
Show SMILES Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C21H27N3O4S/c1-15-5-10-20(28-15)16-6-8-18(9-7-16)29(26,27)24-12-3-2-4-19(24)21(25)23-13-11-17(22)14-23/h5-10,17,19H,2-4,11-14,22H2,1H3/t17-,19+/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544363
PNG
(CHEMBL4640507)
Show SMILES CN1CCC[C@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-20-7-6-12-31(2)15-20/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22+,25+/m1/s1
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n/an/an/an/a 0.251n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544379
PNG
(CHEMBL4643530)
Show SMILES Clc1ccc(-c2cc(no2)C(=O)N[C@H]2CN(C[C@@H]2C(=O)N[C@H]2CCCNC2)S(=O)(=O)c2ccccc2)c(Cl)c1 |r|
Show InChI InChI=1S/C26H27Cl2N5O5S/c27-16-8-9-19(21(28)11-16)24-12-22(32-38-24)26(35)31-23-15-33(39(36,37)18-6-2-1-3-7-18)14-20(23)25(34)30-17-5-4-10-29-13-17/h1-3,6-9,11-12,17,20,23,29H,4-5,10,13-15H2,(H,30,34)(H,31,35)/t17-,20-,23-/m0/s1
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n/an/an/an/a 0.251n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50243597
PNG
((R)-2-(5-(1-(2-amino-2-methylpropanamido)-4,4-difl...)
Show SMILES CC(C)(N)C(=O)N[C@H](CCC(F)(F)c1ccccc1)c1nnnn1CCOC(=O)NCCCCO |r|
Show InChI InChI=1S/C22H33F2N7O4/c1-21(2,25)19(33)27-17(10-11-22(23,24)16-8-4-3-5-9-16)18-28-29-30-31(18)13-15-35-20(34)26-12-6-7-14-32/h3-5,8-9,17,32H,6-7,10-15,25H2,1-2H3,(H,26,34)(H,27,33)/t17-/m1/s1
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n/an/an/an/a 0.270n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Agonist activity at GHS receptor


Bioorg Med Chem Lett 18: 4072-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.100
BindingDB Entry DOI: 10.7270/Q2DR2WF8
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544363
PNG
(CHEMBL4640507)
Show SMILES CN1CCC[C@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-20-7-6-12-31(2)15-20/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22+,25+/m1/s1
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n/an/an/an/a 0.274n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50206768
PNG
(4-((R)-1-{(R)-1-[((S)-carbamoyl-phenyl-methyl)-car...)
Show SMILES NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CC[NH2+]CC1)c1ccccc1
Show InChI InChI=1S/C40H41N5O4/c41-37(46)36(30-10-2-1-3-11-30)45-40(49)35(25-27-15-17-29-9-5-7-13-33(29)23-27)44-39(48)34(43-38(47)31-18-20-42-21-19-31)24-26-14-16-28-8-4-6-12-32(28)22-26/h1-17,22-23,31,34-36,42H,18-21,24-25H2,(H2,41,46)(H,43,47)(H,44,48)(H,45,49)/p+1/t34-,35-,36+/m1/s1
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n/an/an/an/a 0.280n/an/an/an/a



Universit£ degli Studi di Milano

Curated by ChEMBL


Assay Description
Agonist activity at human GHS-R1


Bioorg Med Chem 15: 3054-64 (2007)


Article DOI: 10.1016/j.bmc.2007.01.057
BindingDB Entry DOI: 10.7270/Q25M66HV
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50371684
PNG
(CHEMBL270666)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1O)CC#N
Show InChI InChI=1S/C24H29N7O4/c1-24(2,26)23(33)27-19(16-34-14-17-8-4-3-5-9-17)22-28-29-30-31(22)18(12-13-25)15-35-21-11-7-6-10-20(21)32/h3-11,18-19,32H,12,14-16,26H2,1-2H3,(H,27,33)/t18-,19-/m1/s1
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n/an/an/an/a 0.300n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412972
PNG
(CHEMBL482220)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1cc(Cl)ccc1Cl |r|
Show InChI InChI=1S/C22H25Cl2N3O3S/c23-16-6-9-20(24)19(13-16)15-4-7-18(8-5-15)31(29,30)27-11-2-1-3-21(27)22(28)26-12-10-17(25)14-26/h4-9,13,17,21H,1-3,10-12,14,25H2/t17-,21+/m1/s1
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n/an/an/an/a 0.316n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544366
PNG
(CHEMBL4647963)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1
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n/an/an/an/a 0.316n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544388
PNG
(CHEMBL4645043)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1Cl)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30ClN5O5S/c1-32-13-7-8-18(15-32)29-26(34)21-16-33(39(36,37)19-9-3-2-4-10-19)17-24(21)30-27(35)23-14-25(38-31-23)20-11-5-6-12-22(20)28/h2-6,9-12,14,18,21,24H,7-8,13,15-17H2,1H3,(H,29,34)(H,30,35)/t18-,21-,24-/m0/s1
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n/an/an/an/a>0.316n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544388
PNG
(CHEMBL4645043)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc(on1)-c1ccccc1Cl)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H30ClN5O5S/c1-32-13-7-8-18(15-32)29-26(34)21-16-33(39(36,37)19-9-3-2-4-10-19)17-24(21)30-27(35)23-14-25(38-31-23)20-11-5-6-12-22(20)28/h2-6,9-12,14,18,21,24H,7-8,13,15-17H2,1H3,(H,29,34)(H,30,35)/t18-,21-,24-/m0/s1
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n/an/an/an/a<0.320n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544366
PNG
(CHEMBL4647963)
Show SMILES Cc1ccc2[nH]c(cc2c1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H31N5O4S/c1-17-9-10-22-18(12-17)13-23(29-22)26(33)30-24-16-31(36(34,35)20-7-3-2-4-8-20)15-21(24)25(32)28-19-6-5-11-27-14-19/h2-4,7-10,12-13,19,21,24,27,29H,5-6,11,14-16H2,1H3,(H,28,32)(H,30,33)/t19-,21-,24-/m0/s1
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n/an/an/an/a 0.335n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50235838
PNG
((4-hydroxy-butyl)-carbamic acid 2-{5-[(S)-1-(2-ami...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1-c1ccccc1)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C27H37N7O5/c1-27(2,28)25(36)30-23(19-38-18-21-12-6-7-13-22(21)20-10-4-3-5-11-20)24-31-32-33-34(24)15-17-39-26(37)29-14-8-9-16-35/h3-7,10-13,23,35H,8-9,14-19,28H2,1-2H3,(H,29,37)(H,30,36)/t23-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50066101
PNG
(CHEMBL322912 | Piperidine-4-carboxylic acid {(R)-1...)
Show SMILES NC(=O)CN(CCc1ccccc1)C(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)C1CCNCC1
Show InChI InChI=1S/C42H45N5O4/c43-39(48)28-47(23-20-29-8-2-1-3-9-29)42(51)38(27-31-15-17-33-11-5-7-13-36(33)25-31)46-41(50)37(45-40(49)34-18-21-44-22-19-34)26-30-14-16-32-10-4-6-12-35(32)24-30/h1-17,24-25,34,37-38,44H,18-23,26-28H2,(H2,43,48)(H,45,49)(H,46,50)/t37-,38-/m1/s1
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n/an/an/an/a 0.340n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was evaluated for GH release for effect on human GH secretagogue receptor


J Med Chem 41: 3103-27 (1998)


Article DOI: 10.1021/jm970342o
BindingDB Entry DOI: 10.7270/Q2D799KH
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544378
PNG
(CHEMBL4639111)
Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50412973
PNG
(CHEMBL519301)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CCC[C@H]1C(=O)N1CC[C@@H](N)C1 |r|
Show InChI InChI=1S/C20H24FN3O4S/c1-13-4-7-19(28-13)16-6-5-15(11-17(16)21)29(26,27)24-9-2-3-18(24)20(25)23-10-8-14(22)12-23/h4-7,11,14,18H,2-3,8-10,12,22H2,1H3/t14-,18+/m1/s1
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human ghrelin receptor by cell based BACMAM FLIPR assay


Bioorg Med Chem Lett 19: 684-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.042
BindingDB Entry DOI: 10.7270/Q2VT1TBF
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544364
PNG
(CHEMBL4639229)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-20-7-6-12-31(2)15-20/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22-,25-/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50478232
PNG
(CHEMBL260819)
Show SMILES COc1ccc(F)c(c1)-c1ccc(cc1)S(=O)(=O)Nc1cc(ccc1OC)N1C[C@H](C)N[C@H](C)C1
Show InChI InChI=1S/C26H30FN3O4S/c1-17-15-30(16-18(2)28-17)20-7-12-26(34-4)25(13-20)29-35(31,32)22-9-5-19(6-10-22)23-14-21(33-3)8-11-24(23)27/h5-14,17-18,28-29H,15-16H2,1-4H3/t17-,18+
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n/an/an/an/a 0.398n/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR1a by FLIPR assay


Bioorg Med Chem Lett 18: 2203-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.021
BindingDB Entry DOI: 10.7270/Q2KS6VBX
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis


J Med Chem 61: 5974-5987 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544378
PNG
(CHEMBL4639111)
Show SMILES Clc1ccccc1-c1cc(no1)C(=O)N[C@H]1CN(C[C@@H]1C(=O)N[C@H]1CCCNC1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C26H28ClN5O5S/c27-21-11-5-4-10-19(21)24-13-22(31-37-24)26(34)30-23-16-32(38(35,36)18-8-2-1-3-9-18)15-20(23)25(33)29-17-7-6-12-28-14-17/h1-5,8-11,13,17,20,23,28H,6-7,12,14-16H2,(H,29,33)(H,30,34)/t17-,20-,23-/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544364
PNG
(CHEMBL4639229)
Show SMILES CN1CCC[C@@H](C1)NC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-20-7-6-12-31(2)15-20/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22-,25-/m0/s1
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n/an/an/an/a 0.398n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50371686
PNG
(CHEMBL271876)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccn1)CC#N
Show InChI InChI=1S/C23H28N8O3/c1-23(2,25)22(32)27-19(16-33-14-17-8-4-3-5-9-17)21-28-29-30-31(21)18(11-12-24)15-34-20-10-6-7-13-26-20/h3-10,13,18-19H,11,14-16,25H2,1-2H3,(H,27,32)/t18-,19-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50049478
PNG
(1-{[(2R)-3-(benzyloxy)-1-{1-methanesulfonyl-1,2-di...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CN(c3ccccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C27H36N4O5S/c1-26(2,28)25(33)29-22(18-36-17-20-9-5-4-6-10-20)24(32)30-15-13-27(14-16-30)19-31(37(3,34)35)23-12-8-7-11-21(23)27/h4-12,22H,13-19,28H2,1-3H3,(H,29,33)/t22-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor assessed as intracellular myo-IP1 secretion after 90 mins by HTRF analysis


J Med Chem 61: 5974-5987 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00322
BindingDB Entry DOI: 10.7270/Q2WD433X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50371688
PNG
(CHEMBL404545)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnnn1[C@@H](COc1ccccc1)CC#N
Show InChI InChI=1S/C24H29N7O3/c1-24(2,26)23(32)27-21(17-33-15-18-9-5-3-6-10-18)22-28-29-30-31(22)19(13-14-25)16-34-20-11-7-4-8-12-20/h3-12,19,21H,13,15-17,26H2,1-2H3,(H,27,32)/t19-,21-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Agonist activity at human GHS receptor expressed in H4 glioma cells assessed as intracellular calcium concentration by FLIPR assay


Bioorg Med Chem Lett 18: 2067-72 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.100
BindingDB Entry DOI: 10.7270/Q21G0N4D
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50235845
PNG
((S)-2-(5-(2-(2,4-difluorobenzyloxy)-1-(2-amino-2-m...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H31F2N7O5/c1-21(2,24)19(32)26-17(13-34-12-14-5-6-15(22)11-16(14)23)18-27-28-29-30(18)8-10-35-20(33)25-7-3-4-9-31/h5-6,11,17,31H,3-4,7-10,12-13,24H2,1-2H3,(H,25,33)(H,26,32)/t17-/m1/s1
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n/an/an/an/a 0.420n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50235842
PNG
((S)-2-(5-(2-(2-chlorobenzyloxy)-1-(2-amino-2-methy...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccccc1Cl)c1nnnn1CCOC(=O)NCCCCO
Show InChI InChI=1S/C21H32ClN7O5/c1-21(2,23)19(31)25-17(14-33-13-15-7-3-4-8-16(15)22)18-26-27-28-29(18)10-12-34-20(32)24-9-5-6-11-30/h3-4,7-8,17,30H,5-6,9-14,23H2,1-2H3,(H,24,32)(H,25,31)/t17-/m1/s1
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n/an/an/an/a 0.450n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Inhibition of human growth hormone secretagogue receptor assessed as measuring intracellular calcium level by FLIPR assay


Bioorg Med Chem Lett 18: 1825-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.02.021
BindingDB Entry DOI: 10.7270/Q24B325H
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50544362
PNG
(CHEMBL4646219)
Show SMILES CN1CCC[C@@H]1CNC(=O)[C@H]1CN(C[C@@H]1NC(=O)c1cc2cc(C)ccc2[nH]1)S(=O)(=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H33N5O4S/c1-18-10-11-23-19(13-18)14-24(29-23)27(34)30-25-17-32(37(35,36)21-8-4-3-5-9-21)16-22(25)26(33)28-15-20-7-6-12-31(20)2/h3-5,8-11,13-14,20,22,25,29H,6-7,12,15-17H2,1-2H3,(H,28,33)(H,30,34)/t20-,22+,25+/m1/s1
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n/an/an/an/a 0.455n/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Agonist activity at human GHSR expressed in HEK293 cells assessed as increase in IP1 accumulation measured after 90 mins in presence of LiCl by HTRF ...


J Med Chem 63: 9705-9730 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00828
BindingDB Entry DOI: 10.7270/Q2445R3K
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50410108
PNG
(CHEMBL179823)
Show SMILES COc1cccc(Oc2ccc3C(N(CCc3c2)C(=O)OC(C)(C)C)C(=O)NCCN(C(C)C)C(C)C)c1
Show InChI InChI=1S/C30H43N3O5/c1-20(2)32(21(3)4)17-15-31-28(34)27-26-13-12-25(37-24-11-9-10-23(19-24)36-8)18-22(26)14-16-33(27)29(35)38-30(5,6)7/h9-13,18-21,27H,14-17H2,1-8H3,(H,31,34)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.460n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vivo effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50410114
PNG
(CHEMBL360547)
Show SMILES COc1ccc(Oc2ccc3C(N(CCc3c2)C(=O)OC(C)(C)C)C(=O)NCCN(C(C)C)C(C)C)cc1
Show InChI InChI=1S/C30H43N3O5/c1-20(2)32(21(3)4)18-16-31-28(34)27-26-14-13-25(37-24-11-9-23(36-8)10-12-24)19-22(26)15-17-33(27)29(35)38-30(5,6)7/h9-14,19-21,27H,15-18H2,1-8H3,(H,31,34)
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n/an/an/an/a 0.490n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vivo effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50410123
PNG
(CHEMBL180094)
Show SMILES CC(C)N(CCNC(=O)C1N(CCc2cc(Oc3ccccc3)ccc12)C(=O)OC(C)(C)C)C(C)C
Show InChI InChI=1S/C29H41N3O4/c1-20(2)31(21(3)4)18-16-30-27(33)26-25-14-13-24(35-23-11-9-8-10-12-23)19-22(25)15-17-32(26)28(34)36-29(5,6)7/h8-14,19-21,26H,15-18H2,1-7H3,(H,30,33)
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n/an/an/an/a 0.490n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
In vitro effective concentration against human growth hormone secretagogues


Bioorg Med Chem Lett 15: 1799-802 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.040
BindingDB Entry DOI: 10.7270/Q21837Q4
More data for this
Ligand-Target Pair
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