olcegepant [Ligand Id: 702] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL207197 (Bibn 4096 bs, Bibn-4096bs, BIBN 4096 BS, BIBN-4096 BS, BIBN-4096BS, Olcegepant)
  • Calcitonin gene-related peptide 1 in Human [ChEMBL: CHEMBL5293] [UniProtKB: P06881]
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  • RAMP1/calcitonin receptor-like receptor/Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 in Human [ChEMBL: CHEMBL2107838] [GtoPdb: 5147] [UniProtKB: O60894Q16602]
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  • calcitonin receptor-like receptor/Calcitonin gene-related peptide type 1 receptor in Human [ChEMBL: CHEMBL3798] [GtoPdb: 47] [UniProtKB: Q16602]
  • calcitonin receptor-like receptor/Calcitonin gene-related peptide type 1 receptor in Rat [ChEMBL: CHEMBL4755] [GtoPdb: 47] [UniProtKB: Q63118]
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  • AMY1 receptor in Human [GtoPdb: 44]
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  • CGRP receptor in Human [GtoPdb: 48]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Calcitonin gene-related peptide 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5293] [UniProtKB: P06881]
ChEMBL Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay B 10.85 pKi 0.01 nM Ki Bioorg Med Chem Lett (2011) 21: 6705-6708 [PMID:21982500]
RAMP1/calcitonin receptor-like receptor/Calcitonin-gene-related peptide receptor, CALCRL/RAMP1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2107838] [GtoPdb: 5147] [UniProtKB: O60894Q16602]
ChEMBL Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintillation counting method B 10.5 pKi 0.03 nM Ki J Med Chem (2020) 63: 7906-7920 [PMID:32558564]
ChEMBL Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production F 10 pIC50 0.1 nM IC50 Bioorg Med Chem Lett (2006) 16: 2595-2598 [PMID:16527483]
ChEMBL Inhibition of human CLR/RAMP1 B 10.52 pIC50 0.03 nM IC50 J Med Chem (2020) 63: 6600-6623 [PMID:32058712]
calcitonin receptor-like receptor/Calcitonin gene-related peptide type 1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3798] [GtoPdb: 47] [UniProtKB: Q16602]
ChEMBL Antagonist activity against CGRP receptor assessed as inhibition of CGRP-mediated vasorelaxation in human cerebral arteries B 10.1 pKd 0.08 nM Kd J Med Chem (2014) 57: 7838-7858 [PMID:24960305]
ChEMBL Antagonist activity against CGRP receptor assessed as inhibition of CGRP-mediated vasorelaxation in human coronary arteries B 10.4 pKd 0.04 nM Kd J Med Chem (2014) 57: 7838-7858 [PMID:24960305]
ChEMBL Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells after 180 mins by gamma counting B 10.85 pKi 0.01 nM Ki Bioorg Med Chem Lett (2012) 22: 3941-3945 [PMID:22607672]
ChEMBL Binding affinity to human CGRP receptor B 10.85 pKi 0.01 nM Ki J Med Chem (2014) 57: 7838-7858 [PMID:24960305]
ChEMBL Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells B 11 pKi 0.01 nM Ki ACS Med Chem Lett (2012) 3: 337-341 [PMID:24900474]
ChEMBL Antagonist activity at human CGRP receptor B 11 pKi 0.01 nM Ki Bioorg Med Chem Lett (2013) 23: 3157-3161 [PMID:23632269]
ChEMBL Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured after 2 hrs by liquid scintillation counting B 11 pKi 0.01 nM Ki Bioorg Med Chem Lett (2014) 24: 845-849 [PMID:24405707]
ChEMBL Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins followed by CGRP addition measured after 3 hrs by beta-lactamase reporter gene-based FRET assay F 8.4 pIC50 4 nM IC50 Bioorg Med Chem Lett (2014) 24: 845-849 [PMID:24405707]
ChEMBL Antagonist activity against human CGRP receptor B 10.52 pIC50 0.03 nM IC50 J Med Chem (2014) 57: 7838-7858 [PMID:24960305]
ChEMBL Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells B 10.7 pIC50 0.02 nM IC50 Bioorg Med Chem Lett (2012) 22: 4719-4722 [PMID:22732695]
ChEMBL Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of alpha-CGRP-induced c-AMP formation after 15 mins by radioimmunoassay B 10.59 pEC50 0.03 nM EC50 Bioorg Med Chem Lett (2014) 24: 2744-2748 [PMID:24794104]
calcitonin receptor-like receptor/Calcitonin gene-related peptide type 1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4755] [GtoPdb: 47] [UniProtKB: Q63118]
ChEMBL Displacement of [125I]CGRP from CGRP receptor in rat spleen homogenate after 180 mins by gamma counting B 8.47 pKi 3.4 nM Ki Bioorg Med Chem Lett (2012) 22: 3941-3945 [PMID:22607672]
ChEMBL Binding affinity to rat CGRP receptor B 8.47 pKi 3.4 nM Ki J Med Chem (2014) 57: 7838-7858 [PMID:24960305]
AMY1 receptor in Human [GtoPdb: 44]
CGRP receptor in Human [GtoPdb: 48]
GtoPdb - - 11 pKi 0.01 nM Ki J Biol Chem (2002) 277: 14294-8 [PMID:11847213];
Br J Pharmacol (2000) 129: 420-3 [PMID:10711339];
Br J Pharmacol (2003) 140: 477-86 [PMID:12970090];
Mol Pharmacol (2006) 70: 1984-1991 [PMID:16959943];
Bioorg Med Chem Lett (2014) 24: 845-9 [PMID:24405707]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]