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BDBM50240844 (S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-acetamido-5-guanidinopentanamido)-5-guanidinopentanoyl)pyrrolidine-2-carboxamido)-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido)-4-methylpentanoic acid::(S)-2-{(2S,3R)-2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-propionylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::(S)-2-{2-[(S)-2-({(S)-1-[(S)-2-((S)-2-Acetylamino-5-guanidino-pentanoylamino)-5-guanidino-pentanoyl]-pyrrolidine-2-carbonyl}-amino)-3-(4-hydroxy-phenyl)-1-oxo-propylamino]-3-methyl-pentanoylamino}-4-methyl-pentanoic acid::CHEMBL344337
SMILES: [#6]-[#6]-[#6@@H](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O
InChI Key: InChIKey=ZUADVYNSAVMKLJ-CUICDERCSA-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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Neurotensin receptor 1 (MOUSE) | BDBM50240844 ((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet  | CHEMBL PC cid PC sid UniChem Similars | Article | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of specific binding of [125I]-Tyr3-NT(1-13) to NT receptors in neonatal mouse whole brain (minus cerebellum) | Bioorg Med Chem Lett 3: 949-952 (1993) Article DOI: 10.1016/S0960-894X(00)80698-8 BindingDB Entry DOI: 10.7270/Q2CJ8DDX | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50240844 ((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.81 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina Curated by ChEMBL | Assay Description Displacement of [125I]I-Tyr(3)NT from human NTR1 | J Med Chem 52: 1803-13 (2009) Article DOI: 10.1021/jm801072v BindingDB Entry DOI: 10.7270/Q2VD6Z9D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50240844 ((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2.42 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical University of South Carolina Curated by ChEMBL | Assay Description Displacement of [125I]I-Tyr(3)NT from human NTR1 | J Med Chem 52: 1803-13 (2009) Article DOI: 10.1021/jm801072v BindingDB Entry DOI: 10.7270/Q2VD6Z9D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Dopamine receptor D2L/neurotensin receptor NTS1 (Homo sapiens (Human)) | BDBM50240844 ((S)-2-((2S,3R)-2-((S)-2-((S)-1-((S)-2-((S)-2-aceta...) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.89 | n/a | n/a | n/a | n/a |
Medical University of South Carolina Curated by ChEMBL | Assay Description Agonist activity at NTR1 in human HT-29 cells assessed as increase in intracellular calcium concentration by FLIPR assay | J Med Chem 52: 1803-13 (2009) Article DOI: 10.1021/jm801072v BindingDB Entry DOI: 10.7270/Q2VD6Z9D | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
