BDBM50059091 2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propionylamino)-15-benzyl-6-(1-hydroxy-ethyl)-12-(1H-indol-3-ylmethyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaaza-cyclononadecane-3-carbonyl]-amino}-3-hydroxy-butyric acid::CHEMBL266469
SMILES: C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[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)C(O)=O
InChI Key: InChIKey=LFOIRPWSTKRJFG-MNTGUQQXSA-N
Data: 8 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SSTR3 (MOUSE) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+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 5 (Homo sapiens (Human)) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.17 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description compound was tested for the inhibition of human somatostatin receptor 5 (hSSTR5) | J Med Chem 40: 2252-8 (1997) Article DOI: 10.1021/jm960851a BindingDB Entry DOI: 10.7270/Q2BC3XPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SSTR2 (MOUSE) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13.1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Compound was tested for the inhibition of mSSTR2b | J Med Chem 40: 2252-8 (1997) Article DOI: 10.1021/jm960851a BindingDB Entry DOI: 10.7270/Q2BC3XPS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SSTR5 (RAT) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.30 | 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)) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+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 | |||||||||||||
SSTR2 (MOUSE) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 13 | 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 | |||||||||||||
Somatostatin receptor type 5 (Homo sapiens (Human)) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.20 | 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 | |||||||||||||
SSTR5 (RAT) | BDBM50059091 (2-{[9-(4-Amino-butyl)-18-(2-amino-3-phenyl-propion...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.29 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Diego Curated by ChEMBL | Assay Description Compound was tested for the inhibition of rSSTR5 | J Med Chem 40: 2252-8 (1997) Article DOI: 10.1021/jm960851a BindingDB Entry DOI: 10.7270/Q2BC3XPS | |||||||||||
More data for this Ligand-Target Pair |