BDBM50049479 (S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-amino-3-(1H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-3-(1H-indol-3-yl)-propionylamino]-3-phenyl-propionylamino}-hexanoic acid amide::(S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-amino-3-(3H-imidazol-4-yl)-propionylamino]-3-(1H-indol-3-yl)-propionylamino]-propionylamino}-3-(1H-indol-3-yl)-propionylamino]-3-phenyl-propionylamino}-hexanoic acid amide::CHEMBL105462
SMILES: C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
InChI Key: InChIKey=WZHKXNSOCOQYQX-FUAFALNISA-N
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ghrelin receptor (Homo sapiens (Human)) | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6 | 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 | |||||||||||||
Ghrelin receptor () | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | Reactome pathway KEGG GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 10 | 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 | |||||||||||||
Ghrelin receptor (Homo sapiens (Human)) | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.08 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Displacement of [125I]ghrelin expressed in in LLC-PK1 cells incubated for 1 hr by gamma counting method | J Med Chem 55: 6502-11 (2012) Article DOI: 10.1021/jm300557t BindingDB Entry DOI: 10.7270/Q22J6D00 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ghrelin receptor () | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | Reactome pathway KEGG GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.70 | n/a | n/a | n/a | n/a |
Novo Nordisk A/S Curated by ChEMBL | Assay Description Tested for GH-releasing property using classical rat pituitary cell assay | J Med Chem 41: 3705-14 (1998) Article DOI: 10.1021/jm980197u BindingDB Entry DOI: 10.7270/Q2Z31XS6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ghrelin receptor (Homo sapiens (Human)) | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6.00E+3 | 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 | |||||||||||||
Platelet glycoprotein 4 (Rattus norvegicus) | BDBM50049479 ((S)-6-Amino-2-{(R)-2-[(S)-2-{(S)-2-[(R)-2-[(S)-2-a...) | PDB Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.82E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al Curated by ChEMBL | Assay Description Displacement of photoactivatable [125I]-Tyr-Bpa-Ala-Hexarelin from CD36 in Sprague-Dawley rat cardiac membranes incubated for 60 mins by densitometry | J Med Chem 55: 6502-11 (2012) Article DOI: 10.1021/jm300557t BindingDB Entry DOI: 10.7270/Q22J6D00 | |||||||||||
More data for this Ligand-Target Pair |