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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 = 'BDBM50422949'   
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))		BDBM50422949
PNG
(CHEMBL268420)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)[C@@H](C)O)C(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Show InChI InChI=1S/C62H84N12O14/c1-33(2)49(70-56(82)45(32-48(76)77)69-60(86)51(36(6)75)72-57(83)46-23-16-28-73(46)62(88)50(34(3)4)71-54(80)41(63)29-37-17-10-7-11-18-37)59(85)66-42-26-24-40-25-27-47(74(40)61(42)87)58(84)68-44(31-39-21-14-9-15-22-39)55(81)65-35(5)53(79)67-43(52(64)78)30-38-19-12-8-13-20-38/h7-15,17-22,33-36,40-47,49-51,75H,16,23-32,63H2,1-6H3,(H2,64,78)(H,65,81)(H,66,85)(H,67,79)(H,68,84)(H,69,86)(H,70,82)(H,71,80)(H,72,83)(H,76,77)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,49-,50-,51-/m0/s1
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Similars
Article
PubMed
n/an/a 107n/an/an/an/an/an/a



Université de Montréal

Curated by ChEMBL


Assay Description
Antagonist activity against human CGRP1 expressed in HEK293 cells assessed as inhibition of human alpha-CGRP-promoted cAMP production

J Med Chem 50: 1401-8 (2007)


Article DOI: 10.1021/jm061343w
BindingDB Entry DOI: 10.7270/Q280529V
More data for this
Ligand-Target Pair