BDBM50342630 CHEMBL1770720::N-((6S,9R)-6-(2,3-difluorophenyl)-3-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-9-yl)-2'-oxo-1',2'-dihydrospiro[piperidine-4,4'-pyrido[2,3-d][1,3]oxazine]-1-carboxamide
SMILES: Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC4(CC3)OC(=O)Nc3ncccc43)c3ncc(CC(F)(F)F)n3C2)c1F
InChI Key: InChIKey=FTBFNPPRRNOXIX-IIBYNOLFSA-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)) | BDBM50342630 (CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0700 | 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)) | BDBM50342630 (CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2 | 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 | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM50342630 (CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 3.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of human ERG | 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)) | BDBM50342630 (CHEMBL1770720 | N-((6S,9R)-6-(2,3-difluorophenyl)-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 0.410 | 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 |