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PubMed code 15294000

Compile data set for download or QSAR
Found 14 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151161
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexy...)
Show SMILES CCC(N(CCCN(CC)CC)C(=O)c1ccc([nH]1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C28H42N4O2/c1-4-26(27(33)29-23-16-11-8-12-17-23)32(21-13-20-31(5-2)6-3)28(34)25-19-18-24(30-25)22-14-9-7-10-15-22/h7,9-10,14-15,18-19,23,26,30H,4-6,8,11-13,16-17,20-21H2,1-3H3,(H,29,33)
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 220n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151159
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexy...)
Show SMILES CCCCC(N(CCCN(CC)CC)C(=O)c1ccc([nH]1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C30H46N4O2/c1-4-7-19-28(29(35)31-25-17-12-9-13-18-25)34(23-14-22-33(5-2)6-3)30(36)27-21-20-26(32-27)24-15-10-8-11-16-24/h8,10-11,15-16,20-21,25,28,32H,4-7,9,12-14,17-19,22-23H2,1-3H3,(H,31,35)
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 280n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151163
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexy...)
Show SMILES CCCC(N(CCCN(CC)CC)C(=O)c1ccc([nH]1)-c1ccccc1)C(=O)NC1CCCCC1
Show InChI InChI=1S/C29H44N4O2/c1-4-14-27(28(34)30-24-17-11-8-12-18-24)33(22-13-21-32(5-2)6-3)29(35)26-20-19-25(31-26)23-15-9-7-10-16-23/h7,9-10,15-16,19-20,24,27,31H,4-6,8,11-14,17-18,21-22H2,1-3H3,(H,30,34)
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 870n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151168
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccncc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C31H41N5O2/c1-3-35(4-2)22-11-23-36(31(38)28-17-16-27(34-28)24-12-7-5-8-13-24)29(25-18-20-32-21-19-25)30(37)33-26-14-9-6-10-15-26/h5,7-8,12-13,16-21,26,29,34H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,33,37)
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 910n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151160
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (3-diethylam...)
Show SMILES CCN(CC)CCCN(C(C(=O)NCc1ccc(F)cc1)c1ccc(F)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C33H36F2N4O2/c1-3-38(4-2)21-8-22-39(33(41)30-20-19-29(37-30)25-9-6-5-7-10-25)31(26-13-17-28(35)18-14-26)32(40)36-23-24-11-15-27(34)16-12-24/h5-7,9-20,31,37H,3-4,8,21-23H2,1-2H3,(H,36,40)
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 1.15E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151169
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [1-cyclohexy...)
Show SMILES CCN(CC)CCCN(C(Cc1ccc(C)o1)C(=O)NC1CCCCC1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C32H44N4O3/c1-4-35(5-2)21-12-22-36(32(38)29-20-19-28(34-29)25-13-8-6-9-14-25)30(23-27-18-17-24(3)39-27)31(37)33-26-15-10-7-11-16-26/h6,8-9,13-14,17-20,26,30,34H,4-5,7,10-12,15-16,21-23H2,1-3H3,(H,33,37)
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 1.17E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151158
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (1-tert-buty...)
Show SMILES CCN(CC)CCCN(C(C)C(=O)NC(C)(C)C)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C25H38N4O2/c1-7-28(8-2)17-12-18-29(19(3)23(30)27-25(4,5)6)24(31)22-16-15-21(26-22)20-13-10-9-11-14-20/h9-11,13-16,19,26H,7-8,12,17-18H2,1-6H3,(H,27,30)
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 1.18E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151167
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C32H41FN4O2/c1-3-36(4-2)22-11-23-37(32(39)29-21-20-28(35-29)24-12-7-5-8-13-24)30(25-16-18-26(33)19-17-25)31(38)34-27-14-9-6-10-15-27/h5,7-8,12-13,16-21,27,30,35H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,34,38)
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 1.29E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151164
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(O)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C32H42N4O3/c1-3-35(4-2)22-11-23-36(32(39)29-21-20-28(34-29)24-12-7-5-8-13-24)30(25-16-18-27(37)19-17-25)31(38)33-26-14-9-6-10-15-26/h5,7-8,12-13,16-21,26,30,34,37H,3-4,6,9-11,14-15,22-23H2,1-2H3,(H,33,38)
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 1.32E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151157
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C31H39FN4O2/c1-3-35(4-2)21-22-36(31(38)28-20-19-27(34-28)23-11-7-5-8-12-23)29(24-15-17-25(32)18-16-24)30(37)33-26-13-9-6-10-14-26/h5,7-8,11-12,15-20,26,29,34H,3-4,6,9-10,13-14,21-22H2,1-2H3,(H,33,37)
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 1.37E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151165
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid (1-cyclohexy...)
Show SMILES CCN(CC)CCCN(C(C)C(=O)NC1CCCCC1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C27H40N4O2/c1-4-30(5-2)19-12-20-31(21(3)26(32)28-23-15-10-7-11-16-23)27(33)25-18-17-24(29-25)22-13-8-6-9-14-22/h6,8-9,13-14,17-18,21,23,29H,4-5,7,10-12,15-16,19-20H2,1-3H3,(H,28,32)
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 1.92E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151170
PNG
(CHEMBL185887 | N-[Cyclohexylcarbamoyl-(4-fluoro-ph...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(F)cc1)C(=O)CCN1CCCc2ccccc12
Show InChI InChI=1S/C33H47FN4O2/c1-3-36(4-2)22-11-24-38(31(39)21-25-37-23-10-13-26-12-8-9-16-30(26)37)32(27-17-19-28(34)20-18-27)33(40)35-29-14-6-5-7-15-29/h8-9,12,16-20,29,32H,3-7,10-11,13-15,21-25H2,1-2H3,(H,35,40)
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 2.03E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151166
PNG
(5-Phenyl-1H-pyrrole-2-carboxylic acid [cyclohexylc...)
Show SMILES CCN(CC)CCCN(C(C(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1)C(=O)c1ccc([nH]1)-c1ccccc1
Show InChI InChI=1S/C34H46N4O4/c1-5-37(6-2)22-13-23-38(34(40)29-20-19-28(36-29)25-14-9-7-10-15-25)32(33(39)35-27-16-11-8-12-17-27)26-18-21-30(41-3)31(24-26)42-4/h7,9-10,14-15,18-21,24,27,32,36H,5-6,8,11-13,16-17,22-23H2,1-4H3,(H,35,39)
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 2.63E+3n/an/an/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))		BDBM50151162
PNG
((S)-3-(2-Chloro-phenyl)-1-(2-diethylamino-ethyl)-3...)
Show SMILES CCN(CC)CCN1C(=O)[C@](O)(c2c1cc(cc2C(F)(F)F)C(N)=O)c1ccccc1Cl
Show InChI InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)/t21-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Institute for Life Science Research

Curated by ChEMBL


Assay Description
Binding affinity for human growth hormone secretagogue receptor was determined using [125I]-ghrelin

J Med Chem 47: 4286-90 (2004)


Article DOI: 10.1021/jm040103i
BindingDB Entry DOI: 10.7270/Q2CR5SV7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%