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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50173480'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))		BDBM50173480
PNG
(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

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PC sid
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Similars
Article
PubMed
n/an/a>3.00E+5n/an/an/an/a7.4n/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