BDBM50173483 (S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid phenethyl-amide::CHEMBL196582
SMILES: NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1
InChI Key: InChIKey=LBPLTZVLRLIUFZ-URLMMPGGSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50173483![]() ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity against human CGRP receptor | J Med Chem 57: 7838-58 (2014) Article DOI: 10.1021/jm500364u BindingDB Entry DOI: 10.7270/Q2RB7675 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human)) | BDBM50173483![]() ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) | PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Biohaven Pharmaceuticals Inc. Curated by ChEMBL | Assay Description Inhibition of human CLR/RAMP1 | J Med Chem 63: 6600-6623 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50173483![]() ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | 7.4 | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ... | J Med Chem 48: 5921-31 (2005) Article DOI: 10.1021/jm0490641 BindingDB Entry DOI: 10.7270/Q2KS6R3J | |||||||||||
More data for this Ligand-Target Pair |