BDBM50173475 4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidine-1-carboxylic acid [(S)-1-[(R)-5-amino-1-(4-pyridin-4-yl-piperazine-1-carbonyl)-pentylcarbamoyl]-2-(3,5-dibromo-4-hydroxy-phenyl)-ethyl]-amide::CHEMBL382469
SMILES: NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O)C(=O)N1CCN(CC1)c1ccncc1
InChI Key: InChIKey=YYSNPBLETNIGCW-JSOSNVBQSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50173475 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) | 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 | 0.200 | 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 | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50173475 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) | 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 | n/a | 0.0794 | n/a | n/a | n/a | n/a | n/a |
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL | Assay Description Antagonistic activity against calcitonin gene related peptide receptor determined by measuring the formation of cyclic AMP in SK-N-MC cells | 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 | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Rattus norvegicus) | BDBM50173475 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 56.7 | 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 calcitonin gene related peptide receptor (1 uM) in rat spleen using [125I]-CGRP as radioligand after 180 minutes of incubation at pH... | 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 | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50173475 (4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-piperidin...) | 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 | 2.70 | 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 calcitonin gene related peptide receptor (1 uM) in marmoset tissue homogenates using [125I]-CGRP as radioligand after 180 minutes of... | 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 |