BDBM50173483 (S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl)-2-(4-phenyl-butyrylamino)-propionylamino]-hexanoic acid phenethyl-amide::CHEMBL196582

SMILES: NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1

InChI Key: InChIKey=LBPLTZVLRLIUFZ-URLMMPGGSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50173483   

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))	BDBM50173483 ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m0/s1	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	1.70E+4	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
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor/Receptor activity-modifying protein 1 (Homo sapiens (Human))	BDBM50173483 ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.70E+4	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)
					More data for this Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor (Homo sapiens (Human))	BDBM50173483 ((S)-6-Amino-2-[(R)-3-(3,5-dibromo-4-hydroxy-phenyl...) Show SMILES NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C33H40Br2N4O4/c34-26-20-25(21-27(35)31(26)41)22-29(38-30(40)16-9-14-23-10-3-1-4-11-23)33(43)39-28(15-7-8-18-36)32(42)37-19-17-24-12-5-2-6-13-24/h1-6,10-13,20-21,28-29,41H,7-9,14-19,22,36H2,(H,37,42)(H,38,40)(H,39,43)/t28-,29+/m0/s1	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	>3.00E+5	n/a	n/a	n/a	n/a	7.4	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Affinity against human calcitonin gene related peptide receptor (1 uM) expressed in SK-N-MC cells using [125I]-CGRP as radioligand after 180 minutes ...				J Med Chem 48: 5921-31 (2005) Article DOI: 10.1021/jm0490641 BindingDB Entry DOI: 10.7270/Q2KS6R3J
					More data for this Ligand-Target Pair