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PubMed code 19128969

Compile data set for download or QSAR
Found 29 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412980
PNG
(CHEMBL482203)
Show SMILES CNC1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(C)o1
Show InChI InChI=1S/C22H29N3O4S/c1-16-6-11-21(29-16)17-7-9-19(10-8-17)30(27,28)25-13-4-3-5-20(25)22(26)24-14-12-18(15-24)23-2/h6-11,18,20,23H,3-5,12-15H2,1-2H3/t18?,20-/m0/s1
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n/an/an/an/a 10n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412976
PNG
(CHEMBL480037)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1C[C@H](O)C[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H24FN3O5S/c1-12-2-5-19(29-12)16-4-3-15(9-17(16)21)30(27,28)24-11-14(25)8-18(24)20(26)23-7-6-13(22)10-23/h2-5,9,13-14,18,25H,6-8,10-11,22H2,1H3/t13-,14-,18+/m1/s1
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n/an/an/an/a 0.501n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412957
PNG
(CHEMBL479864)
Show SMILES N[C@H]1CCN(C1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21+/m0/s1
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n/an/an/an/a>5.01E+3n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412969
PNG
(CHEMBL481620)
Show SMILES COc1cccc(c1)C(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CC[C@H](N)C1
Show InChI InChI=1S/C24H30N4O5S/c1-33-20-6-4-5-17(15-20)23(29)26-19-8-10-21(11-9-19)34(31,32)28-13-3-2-7-22(28)24(30)27-14-12-18(25)16-27/h4-6,8-11,15,18,22H,2-3,7,12-14,16,25H2,1H3,(H,26,29)/t18-,22-/m0/s1
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n/an/an/an/a 2n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412970
PNG
(CHEMBL479865)
Show SMILES N[C@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1cccnc1
Show InChI InChI=1S/C21H26N4O3S/c22-18-10-13-24(15-18)21(26)20-5-1-2-12-25(20)29(27,28)19-8-6-16(7-9-19)17-4-3-11-23-14-17/h3-4,6-9,11,14,18,20H,1-2,5,10,12-13,15,22H2/t18-,20-/m0/s1
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n/an/an/an/a 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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412974
PNG
(CHEMBL481014)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1CC[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C19H22FN3O4S/c1-12-2-5-18(27-12)15-4-3-14(10-16(15)20)28(25,26)23-9-7-17(23)19(24)22-8-6-13(21)11-22/h2-5,10,13,17H,6-9,11,21H2,1H3/t13-,17+/m1/s1
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n/an/an/an/a 15.8n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412979
PNG
(CHEMBL521439)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccc(C)o1
Show InChI InChI=1S/C23H31N3O4S/c1-16-14-25(15-17(2)24-16)23(27)21-6-4-5-13-26(21)31(28,29)20-10-8-19(9-11-20)22-12-7-18(3)30-22/h7-12,16-17,21,24H,4-6,13-15H2,1-3H3/t16-,17+,21-/m0/s1
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n/an/an/an/a 6.31n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412960
PNG
(CHEMBL481601)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21+/m1/s1
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n/an/an/an/a 15.8n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412977
PNG
(CHEMBL517391)
Show SMILES Cc1ccc(o1)-c1ccc(cc1F)S(=O)(=O)N1C[C@@H](O)C[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H24FN3O5S/c1-12-2-5-19(29-12)16-4-3-15(9-17(16)21)30(27,28)24-11-14(25)8-18(24)20(26)23-7-6-13(22)10-23/h2-5,9,13-14,18,25H,6-8,10-11,22H2,1H3/t13-,14+,18+/m1/s1
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n/an/an/an/a 5.01n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412968
PNG
(CHEMBL519121)
Show SMILES N[C@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccccc2F)cc1
Show InChI InChI=1S/C23H27FN4O4S/c24-20-6-2-1-5-19(20)22(29)26-17-8-10-18(11-9-17)33(31,32)28-13-4-3-7-21(28)23(30)27-14-12-16(25)15-27/h1-2,5-6,8-11,16,21H,3-4,7,12-15,25H2,(H,26,29)/t16-,21-/m0/s1
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n/an/an/an/a 3.98n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412981
PNG
(CHEMBL482204)
Show SMILES Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCCC[C@H]1C(=O)N1CCCNCC1
Show InChI InChI=1S/C22H29N3O4S/c1-17-6-11-21(29-17)18-7-9-19(10-8-18)30(27,28)25-15-3-2-5-20(25)22(26)24-14-4-12-23-13-16-24/h6-11,20,23H,2-5,12-16H2,1H3/t20-/m0/s1
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n/an/an/an/a 7.94n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412959
PNG
(CHEMBL481408)
Show SMILES N[C@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21-/m0/s1
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n/an/an/an/a 7.94n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412955
PNG
(CHEMBL407706)
Show SMILES COc1ccc(cc1NS(=O)(=O)c1ccc(cc1)-c1ccc(C)o1)N1C[C@H](C)N[C@H](C)C1
Show InChI InChI=1S/C24H29N3O4S/c1-16-14-27(15-17(2)25-16)20-8-12-24(30-4)22(13-20)26-32(28,29)21-9-6-19(7-10-21)23-11-5-18(3)31-23/h5-13,16-17,25-26H,14-15H2,1-4H3/t16-,17+
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n/an/an/an/a 0.794n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412962
PNG
(CHEMBL481602)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccco1
Show InChI InChI=1S/C20H25N3O4S/c21-16-10-12-22(14-16)20(24)18-4-1-2-11-23(18)28(25,26)17-8-6-15(7-9-17)19-5-3-13-27-19/h3,5-9,13,16,18H,1-2,4,10-12,14,21H2/t16-,18+/m1/s1
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n/an/an/an/a 31.6n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412964
PNG
(CHEMBL521246)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccco2)c(F)c1
Show InChI InChI=1S/C20H24FN3O4S/c21-17-12-15(6-7-16(17)19-5-3-11-28-19)29(26,27)24-9-2-1-4-18(24)20(25)23-10-8-14(22)13-23/h3,5-7,11-12,14,18H,1-2,4,8-10,13,22H2/t14-,18+/m1/s1
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n/an/an/an/a 3.16n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412971
PNG
(CHEMBL517543)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1cc(F)ccc1F
Show InChI InChI=1S/C22H25F2N3O3S/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 1n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412982
PNG
(CHEMBL480639)
Show SMILES C[C@H]1CN(C[C@@H](C)N1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(-c2ccc(C)o2)c(F)c1
Show InChI InChI=1S/C23H30FN3O4S/c1-15-13-26(14-16(2)25-15)23(28)21-6-4-5-11-27(21)32(29,30)18-8-9-19(20(24)12-18)22-10-7-17(3)31-22/h7-10,12,15-16,21,25H,4-6,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1
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n/an/an/an/a 2.51n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412956
PNG
(CHEMBL517081)
Show SMILES NC1CCN(C1)C(=O)C1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2
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n/an/an/an/a 31.6n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412961
PNG
(CHEMBL521264)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C16H22BrN3O3S/c17-12-4-6-14(7-5-12)24(22,23)20-9-2-1-3-15(20)16(21)19-10-8-13(18)11-19/h4-7,13,15H,1-3,8-11,18H2/t13-,15+/m1/s1
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n/an/an/an/a 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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412967
PNG
(CHEMBL481619)
Show SMILES N[C@H]1CCN(C1)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C23H28N4O4S/c24-18-13-15-26(16-18)23(29)21-8-4-5-14-27(21)32(30,31)20-11-9-19(10-12-20)25-22(28)17-6-2-1-3-7-17/h1-3,6-7,9-12,18,21H,4-5,8,13-16,24H2,(H,25,28)/t18-,21-/m0/s1
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n/an/an/an/a 19.9n/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
Ghrelin receptor


(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
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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412975
PNG
(CHEMBL516602)
Show SMILES Cc1ccc(o1)-c1ccc(cc1)S(=O)(=O)N1CCNC[C@H]1C(=O)N1CC[C@@H](N)C1
Show InChI InChI=1S/C20H26N4O4S/c1-14-2-7-19(28-14)15-3-5-17(6-4-15)29(26,27)24-11-9-22-12-18(24)20(25)23-10-8-16(21)13-23/h2-7,16,18,22H,8-13,21H2,1H3/t16-,18+/m1/s1
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n/an/an/an/a 1.26n/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
Ghrelin receptor


(Homo sapiens (human))
BDBM50412958
PNG
(CHEMBL482194)
Show SMILES N[C@@H]1CCN(C1)C(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C22H27N3O3S/c23-19-13-15-24(16-19)22(26)21-8-4-5-14-25(21)29(27,28)20-11-9-18(10-12-20)17-6-2-1-3-7-17/h1-3,6-7,9-12,19,21H,4-5,8,13-16,23H2/t19-,21-/m1/s1
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n/an/an/an/a>5.01E+3n/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
* indicates data uncertainty>20%