BDBM50173480 CHEMBL196033::N-{(S)-2-(4-Amino-3,5-dibromo-phenyl)-1-[(R)-5-amino-1-(4-phenyl-piperazine-1-carbonyl)-pentylcarbamoyl]-ethyl}-4-phenyl-butyramide

SMILES: NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1

InChI Key: InChIKey=RDDDYNLVALUVJX-JSOSNVBQSA-N

Data: 1 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 1 hit for monomerid = 50173480   

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))	BDBM50173480 (CHEMBL196033 | N-{(S)-2-(4-Amino-3,5-dibromo-pheny...) Show SMILES NCCCC[C@@H](NC(=O)[C@H](Cc1cc(Br)c(N)c(Br)c1)NC(=O)CCCc1ccccc1)C(=O)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C35H44Br2N6O3/c36-28-22-26(23-29(37)33(28)39)24-31(40-32(44)16-9-12-25-10-3-1-4-11-25)34(45)41-30(15-7-8-17-38)35(46)43-20-18-42(19-21-43)27-13-5-2-6-14-27/h1-6,10-11,13-14,22-23,30-31H,7-9,12,15-21,24,38-39H2,(H,40,44)(H,41,45)/t30-,31+/m1/s1	PDB UniProtKB/SwissProt 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
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