BindingDB PrimarySearch

BDBM50184069 CHEMBL207197::N-((R)-1-((S)-6-amino-1-oxo-1-(4-(pyridin-4-yl)piperazin-1-yl)hexan-2-ylamino)-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide::N-{(1S)-5-amino-1-[(4-pyridin-4-ylpiperazin-1-yl)carbonyl]pentyl}-3,5-dibromo-Nalpha-{[4-(2-oxo-1,4-dihydroquinazolin-3(2H)-yl)piperidin-1-yl]carbonyl}-D-tyrosinamide::OLCEGEPANT

SMILES: NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCN(CC1)c1ccncc1

InChI Key: InChIKey=ITIXDWVDFFXNEG-JHOUSYSJSA-N

Data: 10 KI 5 IC50 1 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 50184069
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry Merck & Co. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from human cloned CLR/RAMP1 receptor expressed in E10 cells				Bioorg Med Chem Lett 16: 2595-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.051 BindingDB Entry DOI: 10.7270/Q2HT2NX8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [125I]-CGRP from CGRP receptor in human SK-N-MC cells				ACS Med Chem Lett 3: 337-341 (2012) Article DOI: 10.1021/ml300021s BindingDB Entry DOI: 10.7270/Q26D5V2R
TBA Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Antagonist activity at human CGRP receptor				Bioorg Med Chem Lett 23: 3157-61 (2013) Article DOI: 10.1016/j.bmcl.2013.04.012 BindingDB Entry DOI: 10.7270/Q2348MSQ
Bristol-Myers Squibb R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membranes preincubated for 30 mins followed by radioligand addition measured afte...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CGRP receptor				J Med Chem 57: 7838-58 (2014) Article DOI: 10.1021/jm500364u BindingDB Entry DOI: 10.7270/Q2RB7675
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0140	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 CGRP receptor in human SK-N-MC cells after 3 hrs				Bioorg Med Chem Lett 22: 3941-5 (2012) Article DOI: 10.1016/j.bmcl.2012.04.105 BindingDB Entry DOI: 10.7270/Q2FX7BG1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	0.0316	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sosei Heptares Curated by ChEMBL					Assay Description Displacement of [3H]telcagepant from recombinant human CLR/RAMP1 expressed in Sf21 insect cell membranes measured after 60 mins by microbeta scintill...				J Med Chem 63: 7906-7920 (2020)
Sosei Heptares Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Rattus norvegicus)	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.40	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 CGRP receptor in rat spleen homogenate after 180 mins by gamma counting				Bioorg Med Chem Lett 22: 3941-5 (2012) Article DOI: 10.1016/j.bmcl.2012.04.105 BindingDB Entry DOI: 10.7270/Q2FX7BG1
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Rattus norvegicus)	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to rat CGRP receptor				J Med Chem 57: 7838-58 (2014) Article DOI: 10.1021/jm500364u BindingDB Entry DOI: 10.7270/Q2RB7675
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide (CGRP alpha) (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	14	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]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay				Bioorg Med Chem Lett 21: 6705-8 (2011) Article DOI: 10.1016/j.bmcl.2011.09.056 BindingDB Entry DOI: 10.7270/Q2ZK5H25
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Biohaven Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of human CLR/RAMP1				J Med Chem 63: 6600-6623 (2020)
Biohaven Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Department of Medicinal Chemistry Merck & Co. Curated by ChEMBL					Assay Description Antagonist activity at human cloned CLR/RAMP1 receptor expressed in E10 cells measured as inhibition of CGRP-mediated cAMP production				Bioorg Med Chem Lett 16: 2595-8 (2006) Article DOI: 10.1016/j.bmcl.2006.02.051 BindingDB Entry DOI: 10.7270/Q2HT2NX8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.0260	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company Curated by ChEMBL					Assay Description 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 radioimmuno...				Bioorg Med Chem Lett 24: 2744-8 (2014) Article DOI: 10.1016/j.bmcl.2014.04.033 BindingDB Entry DOI: 10.7270/Q2Q241S2
Bristol-Myers Squibb Company Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0200	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb R&D Curated by ChEMBL					Assay Description Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cells				Bioorg Med Chem Lett 22: 4719-22 (2012) Article DOI: 10.1016/j.bmcl.2012.05.118 BindingDB Entry DOI: 10.7270/Q2NV9K9M
Bristol-Myers Squibb R&D Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Vertex Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Antagonist activity at CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production preincubated for 30 mins follow...				Bioorg Med Chem Lett 24: 845-9 (2014) Article DOI: 10.1016/j.bmcl.2013.12.089 BindingDB Entry DOI: 10.7270/Q2FJ2J84
Vertex Pharmaceuticals Inc. Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50184069 (CHEMBL207197 \| N-((R)-1-((S)-6-amino-1-oxo-1-(4-(p...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Antagonist activity against human CGRP receptor				J Med Chem 57: 7838-58 (2014) Article DOI: 10.1021/jm500364u BindingDB Entry DOI: 10.7270/Q2RB7675
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)