BDBM50342629 CHEMBL1770719::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2-methoxypropan-2-yl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,3'-pyrrolo[2,3-b]pyridine]-1-carboxamide
SMILES: COC(C)(C)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)N1CCC2(CC1)C(=O)Nc1ncccc21
InChI Key: InChIKey=ZRQQTMZQOCPQHF-XMSQKQJNSA-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)) | BDBM50342629 (CHEMBL1770719 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Displacement of [125I]-CGRP from human recombinant CGRP receptor | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342629 (CHEMBL1770719 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay in presence of 50% human serum | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50342629 (CHEMBL1770719 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Antagonist activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production by cell based assay | Bioorg Med Chem Lett 21: 2683-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.054 BindingDB Entry DOI: 10.7270/Q2VM4CK8 | |||||||||||
More data for this Ligand-Target Pair |