Found 45 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19331
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232281
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C33H30N6O2/c1-41-25-17-14-24(15-18-25)22-39-30(19-16-23-9-3-2-4-10-23)37-38-32(39)31(36-33(40)29-13-7-8-20-34-29)27-21-35-28-12-6-5-11-26(27)28/h2-15,17-18,20-21,31,35H,16,19,22H2,1H3,(H,36,40)/t31-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232297
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C34H32N6O3/c1-42-25-17-16-24(30(20-25)43-2)22-40-31(18-15-23-10-4-3-5-11-23)38-39-33(40)32(37-34(41)29-14-8-9-19-35-29)27-21-36-28-13-7-6-12-26(27)28/h3-14,16-17,19-21,32,36H,15,18,22H2,1-2H3,(H,37,41)/t32-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232283
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethox...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C36H33N7O3/c1-45-25-16-14-24(32(19-25)46-2)22-43-33(17-15-23-20-38-29-11-5-3-9-26(23)29)41-42-35(43)34(40-36(44)31-13-7-8-18-37-31)28-21-39-30-12-6-4-10-27(28)30/h3-14,16,18-21,34,38-39H,15,17,22H2,1-2H3,(H,40,44)/t34-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232270
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyben...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C35H31N7O2/c1-44-25-16-13-23(14-17-25)22-42-32(18-15-24-20-37-29-10-4-2-8-26(24)29)40-41-34(42)33(39-35(43)31-12-6-7-19-36-31)28-21-38-30-11-5-3-9-27(28)30/h2-14,16-17,19-21,33,37-38H,15,18,22H2,1H3,(H,39,43)/t33-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232266
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H32N6O2/c1-42-27-17-14-25(15-18-27)23-40-31(19-16-24-9-3-2-4-10-24)38-39-34(40)33(29-22-36-30-13-6-5-12-28(29)30)37-32(41)21-26-11-7-8-20-35-26/h2-15,17-18,20,22,33,36H,16,19,21,23H2,1H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232295
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C33H31N7O3/c1-42-24-14-13-23(29(18-24)43-2)21-40-30(15-12-22-8-4-3-5-9-22)38-39-32(40)31(37-33(41)28-20-34-16-17-35-28)26-19-36-27-11-7-6-10-25(26)27/h3-11,13-14,16-20,31,36H,12,15,21H2,1-2H3,(H,37,41)/t31-/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19312
((2S)-N-[(1R)-1-{4-[(2,4-dimethoxyphenyl)methyl]-5-...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2)c(OC)c1 |r| Show InChI InChI=1S/C36H39N7O3/c1-45-26-15-13-24(33(19-26)46-2)22-43-34(16-14-23-20-38-29-10-5-3-8-27(23)29)41-42-35(43)32(40-36(44)31-12-7-17-37-31)18-25-21-39-30-11-6-4-9-28(25)30/h3-6,8-11,13,15,19-21,31-32,37-39H,7,12,14,16-18,22H2,1-2H3,(H,40,44)/t31-,32+/m0/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19294
(2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(1H-indo...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)cc1 |r| Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-11-7-5-9-27(24)29)32-40-39-31(41(32)21-22-12-15-25(43-3)16-13-22)17-14-23-19-36-28-10-6-4-8-26(23)28/h4-13,15-16,19-20,30,36-37H,14,17-18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232274
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyben...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C36H33N7O2/c1-45-27-16-13-24(14-17-27)23-43-33(18-15-25-21-38-31-11-4-2-9-28(25)31)41-42-36(43)35(30-22-39-32-12-5-3-10-29(30)32)40-34(44)20-26-8-6-7-19-37-26/h2-14,16-17,19,21-22,35,38-39H,15,18,20,23H2,1H3,(H,40,44)/t35-/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
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PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232264
(CHEMBL249638 | N-((R)-(4-(4-methoxybenzyl)-5-phene...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C31H34N6O2/c1-31(2,32)30(38)34-28(25-19-33-26-12-8-7-11-24(25)26)29-36-35-27(18-15-21-9-5-4-6-10-21)37(29)20-22-13-16-23(39-3)17-14-22/h4-14,16-17,19,28,33H,15,18,20,32H2,1-3H3,(H,34,38)/t28-/m1/s1 | PDB
Reactome pathway
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232263
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C35H33N5O3/c1-42-27-19-18-26(31(21-27)43-2)23-40-32(20-17-24-11-5-3-6-12-24)38-39-34(40)33(37-35(41)25-13-7-4-8-14-25)29-22-36-30-16-10-9-15-28(29)30/h3-16,18-19,21-22,33,36H,17,20,23H2,1-2H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 11.8 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232268
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C32H29N7O2/c1-41-24-14-11-23(12-15-24)21-39-29(16-13-22-7-3-2-4-8-22)37-38-31(39)30(36-32(40)28-20-33-17-18-34-28)26-19-35-27-10-6-5-9-25(26)27/h2-12,14-15,17-20,30,35H,13,16,21H2,1H3,(H,36,40)/t30-/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208689
((R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(3-methoxyb...)Show SMILES COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-14-7-5-12-27(24)29)32-40-39-31(41(32)21-22-9-8-10-25(17-22)43-3)16-15-23-19-36-28-13-6-4-11-26(23)28/h4-14,17,19-20,30,36-37H,15-16,18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232293
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethox...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C35H32N8O3/c1-45-24-13-11-23(31(17-24)46-2)21-43-32(14-12-22-18-38-28-9-5-3-7-25(22)28)41-42-34(43)33(40-35(44)30-20-36-15-16-37-30)27-19-39-29-10-6-4-8-26(27)29/h3-11,13,15-20,33,38-39H,12,14,21H2,1-2H3,(H,40,44)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232286
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H32N6O2/c1-42-27-16-13-25(14-17-27)23-40-31(18-15-24-8-3-2-4-9-24)38-39-34(40)33(29-22-36-30-12-6-5-11-28(29)30)37-32(41)20-26-10-7-19-35-21-26/h2-14,16-17,19,21-22,33,36H,15,18,20,23H2,1H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| Article
PubMed
| n/a | n/a | 29 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232277
(CHEMBL399448 | N-((R)-(4-(2,4-dimethoxyphenyl)-5-p...)Show SMILES COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@H](NC(=O)c1ccccn1)c1c[nH]c2ccccc12 |wD:23.26,(21.08,-23.06,;22.4,-23.85,;23.74,-23.09,;23.76,-21.54,;25.1,-20.79,;26.43,-21.58,;26.42,-23.11,;27.75,-23.89,;27.74,-25.43,;25.08,-23.87,;27.77,-20.82,;29.1,-21.59,;29.13,-23.13,;30.48,-23.87,;30.52,-25.41,;29.2,-26.21,;29.23,-27.74,;30.58,-28.49,;31.9,-27.68,;31.86,-26.15,;30.38,-20.49,;29.62,-19.15,;28.1,-19.31,;27.07,-18.17,;25.57,-18.48,;24.23,-17.72,;24.22,-16.18,;22.9,-18.5,;22.91,-20.02,;21.59,-20.81,;20.24,-20.04,;20.24,-18.5,;21.56,-17.73,;27.55,-16.7,;26.64,-15.45,;27.55,-14.2,;29.03,-14.68,;30.35,-13.91,;31.69,-14.67,;31.7,-16.22,;30.35,-17,;29.02,-16.23,)| Show InChI InChI=1S/C33H30N6O3/c1-41-23-16-17-28(29(20-23)42-2)39-30(18-15-22-10-4-3-5-11-22)37-38-32(39)31(36-33(40)27-14-8-9-19-34-27)25-21-35-26-13-7-6-12-24(25)26/h3-14,16-17,19-21,31,35H,15,18H2,1-2H3,(H,36,40)/t31-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232269
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethox...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C37H35N7O3/c1-46-27-16-14-25(33(20-27)47-2)23-44-34(17-15-24-21-39-31-12-5-3-10-28(24)31)42-43-37(44)36(30-22-40-32-13-6-4-11-29(30)32)41-35(45)19-26-9-7-8-18-38-26/h3-14,16,18,20-22,36,39-40H,15,17,19,23H2,1-2H3,(H,41,45)/t36-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232279
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-ethylpheny...)Show SMILES CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@H](NC(=O)c1ccccn1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C35H31N7O/c1-2-23-14-17-25(18-15-23)42-32(19-16-24-21-37-29-11-5-3-9-26(24)29)40-41-34(42)33(39-35(43)31-13-7-8-20-36-31)28-22-38-30-12-6-4-10-27(28)30/h3-15,17-18,20-22,33,37-38H,2,16,19H2,1H3,(H,39,43)/t33-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232285
((R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-tri...)Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C35H34N6O/c1-2-25-15-17-27(18-16-25)24-41-32(20-19-26-10-4-3-5-11-26)39-40-35(41)34(30-23-37-31-14-7-6-13-29(30)31)38-33(42)22-28-12-8-9-21-36-28/h3-18,21,23,34,37H,2,19-20,22,24H2,1H3,(H,38,42)/t34-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232300
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C34H32N6O3/c1-42-26-14-13-25(30(20-26)43-2)22-40-31(15-12-23-8-4-3-5-9-23)38-39-33(40)32(37-34(41)24-16-18-35-19-17-24)28-21-36-29-11-7-6-10-27(28)29/h3-11,13-14,16-21,32,36H,12,15,22H2,1-2H3,(H,37,41)/t32-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232292
(CHEMBL400174 | N-((R)-(4-(2,4-dimethoxybenzyl)-5-p...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C32H36N6O3/c1-32(2,33)31(39)35-29(25-19-34-26-13-9-8-12-24(25)26)30-37-36-28(17-14-21-10-6-5-7-11-21)38(30)20-22-15-16-23(40-3)18-27(22)41-4/h5-13,15-16,18-19,29,34H,14,17,20,33H2,1-4H3,(H,35,39)/t29-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232276
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-benzyl-4H-1,2...)Show SMILES O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1ccccc1 Show InChI InChI=1S/C35H31N7O/c43-33(20-26-12-8-9-19-36-26)39-34(29-22-38-31-16-7-5-14-28(29)31)35-41-40-32(42(35)23-24-10-2-1-3-11-24)18-17-25-21-37-30-15-6-4-13-27(25)30/h1-16,19,21-22,34,37-38H,17-18,20,23H2,(H,39,43)/t34-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232294
((R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-tri...)Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H32N6O/c1-2-24-15-17-26(18-16-24)23-40-31(20-19-25-10-4-3-5-11-25)38-39-33(40)32(37-34(41)30-14-8-9-21-35-30)28-22-36-29-13-7-6-12-27(28)29/h3-18,21-22,32,36H,2,19-20,23H2,1H3,(H,37,41)/t32-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232291
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxyben...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C36H33N7O2/c1-45-27-13-10-25(11-14-27)23-43-33(15-12-26-21-38-31-8-4-2-6-28(26)31)41-42-36(43)35(30-22-39-32-9-5-3-7-29(30)32)40-34(44)20-24-16-18-37-19-17-24/h2-11,13-14,16-19,21-22,35,38-39H,12,15,20,23H2,1H3,(H,40,44)/t35-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232298
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H31N5O2/c1-41-27-19-16-25(17-20-27)23-39-31(21-18-24-10-4-2-5-11-24)37-38-33(39)32(36-34(40)26-12-6-3-7-13-26)29-22-35-30-15-9-8-14-28(29)30/h2-17,19-20,22,32,35H,18,21,23H2,1H3,(H,36,40)/t32-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232282
((R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-tri...)Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2cnccn2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C33H31N7O/c1-2-23-12-14-25(15-13-23)22-40-30(17-16-24-8-4-3-5-9-24)38-39-32(40)31(37-33(41)29-21-34-18-19-35-29)27-20-36-28-11-7-6-10-26(27)28/h3-15,18-21,31,36H,2,16-17,22H2,1H3,(H,37,41)/t31-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 89 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232278
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-ethylpheny...)Show SMILES CCc1ccc(cc1)-n1c(CCc2c[nH]c3ccccc23)nnc1[C@H](NC(=O)Cc1ccccn1)c1c[nH]c2ccccc12 Show InChI InChI=1S/C36H33N7O/c1-2-24-14-17-27(18-15-24)43-33(19-16-25-22-38-31-12-5-3-10-28(25)31)41-42-36(43)35(30-23-39-32-13-6-4-11-29(30)32)40-34(44)21-26-9-7-8-20-37-26/h3-15,17-18,20,22-23,35,38-39H,2,16,19,21H2,1H3,(H,40,44)/t35-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 96 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232288
((R)-N-((1H-indol-3-yl)(5-phenethyl-4-phenyl-4H-1,2...)Show SMILES O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C31H26N6O/c38-31(27-17-9-10-20-32-27)34-29(25-21-33-26-16-8-7-15-24(25)26)30-36-35-28(19-18-22-11-3-1-4-12-22)37(30)23-13-5-2-6-14-23/h1-17,20-21,29,33H,18-19H2,(H,34,38)/t29-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232272
(CHEMBL399446 | N-((R)-(5-(2-(1H-indol-3-yl)ethyl)-...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)C(C)(C)N)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C34H37N7O3/c1-34(2,35)33(42)38-31(26-19-37-28-12-8-6-10-25(26)28)32-40-39-30(16-14-21-18-36-27-11-7-5-9-24(21)27)41(32)20-22-13-15-23(43-3)17-29(22)44-4/h5-13,15,17-19,31,36-37H,14,16,20,35H2,1-4H3,(H,38,42)/t31-/m1/s1 | PDB
Reactome pathway
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PubMed
| n/a | n/a | 108 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232296
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-dimethox...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccc2N)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C37H35N7O3/c1-46-25-17-15-24(33(19-25)47-2)22-44-34(18-16-23-20-39-31-13-7-4-9-26(23)31)42-43-36(44)35(29-21-40-32-14-8-5-10-27(29)32)41-37(45)28-11-3-6-12-30(28)38/h3-15,17,19-21,35,39-40H,16,18,22,38H2,1-2H3,(H,41,45)/t35-/m1/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| n/a | n/a | 112 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232287
(CHEMBL428314 | N-((R)-(4-(2,4-dimethoxyphenyl)-5-p...)Show SMILES COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@H](NC(=O)Cc1ccccn1)c1c[nH]c2ccccc12 |wD:23.26,(8.33,-38.92,;9.66,-39.7,;11,-38.95,;11.02,-37.41,;12.36,-36.65,;13.68,-37.44,;13.67,-38.97,;15,-39.75,;14.99,-41.29,;12.33,-39.73,;15.02,-36.68,;16.36,-37.45,;16.39,-38.99,;17.74,-39.74,;17.77,-41.28,;16.45,-42.07,;16.48,-43.61,;17.83,-44.35,;19.15,-43.55,;19.12,-42.01,;17.64,-36.35,;16.88,-35.02,;15.35,-35.17,;14.32,-34.03,;12.82,-34.34,;11.48,-33.58,;11.47,-32.04,;10.15,-34.36,;8.81,-33.6,;8.8,-32.06,;7.47,-31.3,;6.14,-32.08,;6.15,-33.63,;7.49,-34.38,;14.8,-32.56,;13.9,-31.31,;14.81,-30.06,;16.28,-30.54,;17.6,-29.77,;18.94,-30.54,;18.95,-32.09,;17.61,-32.86,;16.28,-32.09,)| Show InChI InChI=1S/C34H32N6O3/c1-42-25-16-17-29(30(21-25)43-2)40-31(18-15-23-10-4-3-5-11-23)38-39-34(40)33(27-22-36-28-14-7-6-13-26(27)28)37-32(41)20-24-12-8-9-19-35-24/h3-14,16-17,19,21-22,33,36H,15,18,20H2,1-2H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
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Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232289
((1S,2R)-N-((R)-(5-(2-(1H-indol-3-yl)ethyl)-4-(2,4-...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)[C@H]2CCCC[C@H]2N)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C37H41N7O3/c1-46-25-17-15-24(33(19-25)47-2)22-44-34(18-16-23-20-39-31-13-7-4-9-26(23)31)42-43-36(44)35(29-21-40-32-14-8-5-10-27(29)32)41-37(45)28-11-3-6-12-30(28)38/h4-5,7-10,13-15,17,19-21,28,30,35,39-40H,3,6,11-12,16,18,22,38H2,1-2H3,(H,41,45)/t28-,30+,35+/m0/s1 | PDB
Reactome pathway
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Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232290
((R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-phenyl-4H-1,2...)Show SMILES O=C(N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1-c1ccccc1)c1ccccn1 Show InChI InChI=1S/C33H27N7O/c41-33(29-16-8-9-19-34-29)37-31(26-21-36-28-15-7-5-13-25(26)28)32-39-38-30(40(32)23-10-2-1-3-11-23)18-17-22-20-35-27-14-6-4-12-24(22)27/h1-16,19-21,31,35-36H,17-18H2,(H,37,41)/t31-/m1/s1 | PDB
Reactome pathway
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Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232267
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)CCc2cccnc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C35H34N6O2/c1-43-28-17-13-27(14-18-28)24-41-32(19-15-25-8-3-2-4-9-25)39-40-35(41)34(30-23-37-31-12-6-5-11-29(30)31)38-33(42)20-16-26-10-7-21-36-22-26/h2-14,17-18,21-23,34,37H,15-16,19-20,24H2,1H3,(H,38,42)/t34-/m1/s1 | PDB
Reactome pathway
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Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232280
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C33H30N6O2/c1-41-26-14-11-24(12-15-26)22-39-30(16-13-23-7-3-2-4-8-23)37-38-32(39)31(36-33(40)25-17-19-34-20-18-25)28-21-35-29-10-6-5-9-27(28)29/h2-12,14-15,17-21,31,35H,13,16,22H2,1H3,(H,36,40)/t31-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232299
((R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-t...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2ccncc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H32N6O2/c1-42-27-14-11-26(12-15-27)23-40-31(16-13-24-7-3-2-4-8-24)38-39-34(40)33(29-22-36-30-10-6-5-9-28(29)30)37-32(41)21-25-17-19-35-20-18-25/h2-12,14-15,17-20,22,33,36H,13,16,21,23H2,1H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232271
(CHEMBL415136 | N-((R)-(4-(2,4-dimethoxyphenyl)-5-p...)Show SMILES COc1ccc(c(OC)c1)-n1c(CCc2ccccc2)nnc1[C@H](NC(=O)c1cnccn1)c1c[nH]c2ccccc12 |wD:23.26,(24.03,-5.4,;25.51,-5.81,;26.61,-4.73,;26.22,-3.24,;27.32,-2.16,;28.81,-2.57,;29.2,-4.06,;30.68,-4.47,;31.07,-5.96,;28.1,-5.14,;29.91,-1.49,;31.25,-2.27,;31.28,-3.8,;32.63,-4.55,;32.66,-6.09,;31.34,-6.88,;31.37,-8.42,;32.72,-9.16,;34.04,-8.35,;34.01,-6.82,;32.53,-1.16,;31.77,.17,;30.24,.02,;29.22,1.16,;27.71,.84,;26.37,1.61,;26.36,3.15,;25.04,.83,;25.06,-.7,;23.74,-1.48,;22.39,-.72,;22.38,.82,;23.71,1.6,;29.69,2.62,;28.79,3.88,;29.7,5.13,;31.17,4.65,;32.49,5.42,;33.83,4.65,;33.84,3.1,;32.5,2.33,;31.17,3.1,)| Show InChI InChI=1S/C32H29N7O3/c1-41-22-13-14-27(28(18-22)42-2)39-29(15-12-21-8-4-3-5-9-21)37-38-31(39)30(36-32(40)26-20-33-16-17-34-26)24-19-35-25-11-7-6-10-23(24)25/h3-11,13-14,16-20,30,35H,12,15H2,1-2H3,(H,36,40)/t30-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232284
((R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-tri...)Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)Cc2cccnc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C35H34N6O/c1-2-25-14-16-27(17-15-25)24-41-32(19-18-26-9-4-3-5-10-26)39-40-35(41)34(30-23-37-31-13-7-6-12-29(30)31)38-33(42)21-28-11-8-20-36-22-28/h3-17,20,22-23,34,37H,2,18-19,21,24H2,1H3,(H,38,42)/t34-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232265
((R)-N-((1H-indol-3-yl)(5-phenethyl-4-phenyl-4H-1,2...)Show SMILES O=C(Cc1ccccn1)N[C@H](c1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1 Show InChI InChI=1S/C32H28N6O/c39-30(21-24-13-9-10-20-33-24)35-31(27-22-34-28-17-8-7-16-26(27)28)32-37-36-29(19-18-23-11-3-1-4-12-23)38(32)25-14-5-2-6-15-25/h1-17,20,22,31,34H,18-19,21H2,(H,35,39)/t31-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232275
((R)-(4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2,4-...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NCc2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C35H35N5O2/c1-41-28-19-18-27(32(21-28)42-2)24-40-33(20-17-25-11-5-3-6-12-25)38-39-35(40)34(37-22-26-13-7-4-8-14-26)30-23-36-31-16-10-9-15-29(30)31/h3-16,18-19,21,23,34,36-37H,17,20,22,24H2,1-2H3/t34-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232273
((R)-N-((4-(4-ethylbenzyl)-5-phenethyl-4H-1,2,4-tri...)Show SMILES CCc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccncc2)c2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C34H32N6O/c1-2-24-12-14-26(15-13-24)23-40-31(17-16-25-8-4-3-5-9-25)38-39-33(40)32(37-34(41)27-18-20-35-21-19-27)29-22-36-30-11-7-6-10-28(29)30/h3-15,18-22,32,36H,2,16-17,23H2,1H3,(H,37,41)/t32-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Displacement of 125I-His9-ghrelin from human GHSR1a expressed in LLCPK1 cells |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50208689
((R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-(3-methoxyb...)Show SMILES COc1cccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)c1 Show InChI InChI=1S/C34H37N7O2/c1-34(2,35)33(42)38-30(18-24-20-37-29-14-7-5-12-27(24)29)32-40-39-31(41(32)21-22-9-8-10-25(17-22)43-3)16-15-23-19-36-28-13-6-4-11-26(23)28/h4-14,17,19-20,30,36-37H,15-16,18,21,35H2,1-3H3,(H,38,42)/t30-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 4 | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Agonist activity at GHSR1a expressed in CHO cells assessed as accumulation of intracellular calcium level |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50232263
((R)-N-((4-(2,4-dimethoxybenzyl)-5-phenethyl-4H-1,2...)Show SMILES COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NC(=O)c2ccccc2)c2c[nH]c3ccccc23)c(OC)c1 Show InChI InChI=1S/C35H33N5O3/c1-42-27-19-18-26(31(21-27)43-2)23-40-32(20-17-24-11-5-3-6-12-24)38-39-34(40)33(37-35(41)25-13-7-4-8-14-25)29-22-36-30-16-10-9-15-28(29)30/h3-16,18-19,21-22,33,36H,17,20,23H2,1-2H3,(H,37,41)/t33-/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 16 | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Agonist activity at GHSR1a expressed in CHO cells assessed as accumulation of intracellular calcium level |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM19331
(CHEMBL266063 | N-[(1R)-2-(1H-indol-3-yl)-1-{5-[2-(...)Show SMILES COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C2CCNCC2)cc1 |r| Show InChI InChI=1S/C36H39N7O2/c1-45-28-13-10-24(11-14-28)23-43-34(15-12-26-21-38-31-8-4-2-6-29(26)31)41-42-35(43)33(40-36(44)25-16-18-37-19-17-25)20-27-22-39-32-9-5-3-7-30(27)32/h2-11,13-14,21-22,25,33,37-39H,12,15-20,23H2,1H3,(H,40,44)/t33-/m1/s1 | PDB
Reactome pathway
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PC sid
UniChem
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PubMed
| n/a | n/a | n/a | n/a | 1.60 | n/a | n/a | n/a | n/a |
Universités Montpellier 1
Curated by ChEMBL
| Assay Description
Agonist activity at GHSR1a expressed in CHO cells assessed as accumulation of intracellular calcium level |
J Med Chem 51: 689-93 (2008)
Article DOI: 10.1021/jm701292s
BindingDB Entry DOI: 10.7270/Q2N0168Z |
More data for this
Ligand-Target Pair | |
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