BDBM50272772 10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-::10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carboxylic acid (2-hydroxy-1-hydroxymethyl-propyl)-amide::2-{[(13R,16S,19R)-10-(4-Amino-butyl)-19-((S)-2-amino-3-phenyl-propionylamino)-16-benzyl-7-(1-hydroxy-ethyl)-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-amino}-3-hydroxy-butyric acid::CHEMBL1680::OCTREOTIDE
SMILES: C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
InChI Key: InChIKey=DEQANNDTNATYII-OULOTJBUSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Somatostatin receptor type 2 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeast Louisiana University Curated by ChEMBL | Assay Description In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand | J Med Chem 41: 4693-705 (1998) Article DOI: 10.1021/jm980118e BindingDB Entry DOI: 10.7270/Q2TT4RNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 2 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Binding affinity towards somatostatin receptor type 2 | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 2 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Kuang Tien General Hospital Curated by ChEMBL | Assay Description Binding affinity to human SSTR2A | Bioorg Med Chem Lett 18: 4593-6 (2008) Article DOI: 10.1016/j.bmcl.2008.07.027 BindingDB Entry DOI: 10.7270/Q2SQ9063 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 5 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Binding affinity towards somatostatin receptor type 5 | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 3 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 26.8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Binding affinity towards somatostatin receptor type 3 | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 1 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 875 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Binding affinity towards somatostatin receptor type 1 | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 4 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Binding affinity towards somatostatin receptor type 4 | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 4 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeast Louisiana University Curated by ChEMBL | Assay Description In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand | J Med Chem 41: 4693-705 (1998) Article DOI: 10.1021/jm980118e BindingDB Entry DOI: 10.7270/Q2TT4RNG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 9.34E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 5 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Ireland Galway Curated by ChEMBL | Assay Description Inhibition of human SSTR5 by radioligand binding assay | Eur J Med Chem 163: 148-159 (2019) Article DOI: 10.1016/j.ejmech.2018.11.030 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 5 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 21.8 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Inhibitory concentration against human somatostatin receptor type 5 in CHO-K1 cells | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 4 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
National University of Ireland Galway Curated by ChEMBL | Assay Description Inhibition of human SSTR4 by radioligand binding assay | Eur J Med Chem 163: 148-159 (2019) Article DOI: 10.1016/j.ejmech.2018.11.030 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 2 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Inhibitory concentration against human somatostatin receptor type 2 in CC531 cells | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 5 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.770 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR5 | J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SSTR2 (MOUSE) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR2b | J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SSTR5 (RAT) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor rSSTR5 | J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 4 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor hSSTR4 | J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SSTR3 (MOUSE) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Tested for inhibition of radioligand binding to cloned somatostatin receptor mSSTR3 | J Med Chem 40: 2241-51 (1997) Article DOI: 10.1021/jm960850i BindingDB Entry DOI: 10.7270/Q2125TBX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Somatostatin receptor type 3 (Homo sapiens (Human)) | BDBM50272772 (10-(4-Amino-butyl)-19-(2-amino-3-phenyl-propionyla...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 92.9 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California-San Diego Curated by ChEMBL | Assay Description Inhibitory concentration against human somatostatin receptor type 3 in CHO-K1 cells | J Med Chem 48: 6643-52 (2005) Article DOI: 10.1021/jm050376t BindingDB Entry DOI: 10.7270/Q2D50NRS | |||||||||||
More data for this Ligand-Target Pair |