BDBM50441044 CHEMBL2430166::US9695176, 4
SMILES: Cc1cc(CC(OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)c2ncc3CN(CCn23)C2CCCCC2)cc2cn[nH]c12
InChI Key: InChIKey=AMWSJQSAVVUQOG-UHFFFAOYSA-N
Data: 2 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)) | BDBM50441044 (CHEMBL2430166 | US9695176, 4) | 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 | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production | Bioorg Med Chem Lett 23: 5684-8 (2013) Article DOI: 10.1016/j.bmcl.2013.08.031 BindingDB Entry DOI: 10.7270/Q2BZ67H8 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide (CGRP) receptor (Homo sapiens (Human)) | BDBM50441044 (CHEMBL2430166 | US9695176, 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | 7.5 | 25 |
Bristol-Myers Squibb Company US Patent | Assay Description The compounds of invention were solubilized and carried through serial dilutions using 100% DMSO. Aliquots from the compound serial dilutions were fu... | US Patent US9695176 (2017) BindingDB Entry DOI: 10.7270/Q257195X | |||||||||||
More data for this Ligand-Target Pair |