BDBM50254446 (R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imidazolidine-4,2'-indene]-5'-yl)-2-(8-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5,4-de]quinoxalin-1-yl)acetamide::(S)-2-(6-methyl-2,5-dioxo-2,4,5,6-tetrahydro-1H-imidazo[1,5,4-de]quinoxalin-1-yl)-N-(2'-oxo-1,1',2',3-tetrahydrospiro[indene-2,3'-pyrrolo[2,3-b]pyridine]-5-yl)acetamide::CHEMBL466192
SMILES: CN1C(=O)NC(=O)[C@]11Cc2ccc(NC(=O)Cn3c4cc(C)cc5NC(=O)Cn(c45)c3=O)cc2C1
InChI Key: InChIKey=UIJJWQFJVGLSOH-XMMPIXPASA-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)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | 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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p... | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | 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 | 0.880 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | 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 | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human)) | BDBM50254446 ((R)-N-(3-methyl-2,5-dioxo-1',3'-dihydrospiro[imida...) | 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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck& Co Curated by ChEMBL | Assay Description Antagonistic activity at human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 assessed as inhibition of CGRP-induced cAMP production in p... | Bioorg Med Chem Lett 19: 214-7 (2008) Article DOI: 10.1016/j.bmcl.2008.10.106 BindingDB Entry DOI: 10.7270/Q21C1XSK | |||||||||||
More data for this Ligand-Target Pair |