Found 16 hits Enz. Inhib. hit(s) with Target = 'Growth hormone secretagogue receptor type 1' and Ligand = 'BDBM50049478' 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)) | BDBM50049478
(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 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding Affinity of the compound against Growth hormone secretagogue receptor of swine using [35S]-MK-0677 as radioligand |
J Med Chem 39: 1767-70 (1996)
Article DOI: 10.1021/jm960054c BindingDB Entry DOI: 10.7270/Q2BK1BDG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
Reactome pathway KEGG
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| PDB Article PubMed
| 65.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université Montpellier 1
| Assay Description Briefly, direct ligand binding experiments were performed using fluorescence energy transfer with the purified receptor labeled with Alexa Fluor 350 ... |
J Biol Chem 288: 24656-65 (2013)
Article DOI: 10.1074/jbc.M113.453423 BindingDB Entry DOI: 10.7270/Q2F18XKT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
Reactome pathway KEGG
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| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novo Nordisk A/S
Curated by ChEMBL
| Assay Description Inhibition of the compound against human growth hormone secretagogue (GHS) receptor |
J Med Chem 47: 888-99 (2004)
Article DOI: 10.1021/jm0309452 BindingDB Entry DOI: 10.7270/Q2SN08D0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Ability to displace [125I]ghrelin from cloned human Growth hormone secretagogue receptor type I (GSH1a) receptor expressed in COS-7 cells |
J Med Chem 45: 5609-16 (2002)
BindingDB Entry DOI: 10.7270/Q270825W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description Binding affinity towards cloned human Growth hormone secretagogue receptor type I in LLC PK-1 cells using [125I][His9]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
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 Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Displacement of human [125I]-ghrelin from GHS-R1a (unknown origin) expressed in HEK293 cell membranes after 1 hr by radioligand binding assay |
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 Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ Montpellier I et II
Curated by ChEMBL
| Assay Description Binding affinity towards human pituitary Growth hormone secretagogue receptor using [125I][Tyr4]-ghrelin as radioligand |
J Med Chem 46: 1191-203 (2003)
Article DOI: 10.1021/jm020985q BindingDB Entry DOI: 10.7270/Q2HQ40NJ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for human growth hormone GH secretagogue (hGHsr) receptor |
Bioorg Med Chem Lett 10: 5-8 (2000)
BindingDB Entry DOI: 10.7270/Q2DV1KDR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/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 Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | n/a | n/a | 0.398 | n/a | n/a | n/a | n/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 Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Rattus norvegicus) | BDBM50049478
(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 | PDB
KEGG
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| n/a | n/a | n/a | n/a | 1.30 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description In vitro growth hormone release was determined in rat pituitary cell assay |
Bioorg Med Chem Lett 8: 107-12 (1999)
BindingDB Entry DOI: 10.7270/Q2XS5TJX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Compound was evaluated for binding affinity using [35S]-MK-0677 (800-1100 Ci/mmol), as radioligand having specific high activity |
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 | 3D Structure (crystal) |
Growth hormone secretagogue receptor type 1
(Homo sapiens (Human)) | BDBM50049478
(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 | PDB
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| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards human Growth hormone secretagogue receptor type 1 using competitive binding assay with radiolabeled [35S]-MK-0677 expressed ... |
Bioorg Med Chem Lett 11: 1955-7 (2001)
BindingDB Entry DOI: 10.7270/Q2DF6RR2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |