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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 = 'BDBM50329177'   
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))		BDBM50329177
PNG
((S)-3-(((S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-...)
Show SMILES CC1(C)CC[C@H](N(Cc2cnc3cc4C[C@]5(Cc4cc3c2)C(=O)Nc2ncccc52)C1=O)c1cc(F)cc(F)c1 |r|
Show InChI InChI=1S/C32H28F2N4O2/c1-31(2)6-5-27(20-10-23(33)13-24(34)11-20)38(30(31)40)17-18-8-19-9-21-14-32(15-22(21)12-26(19)36-16-18)25-4-3-7-35-28(25)37-29(32)39/h3-4,7-13,16,27H,5-6,14-15,17H2,1-2H3,(H,35,37,39)/t27-,32-/m0/s1
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Article
PubMed
 0.300n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK293 cells

Bioorg Med Chem Lett 20: 6827-30 (2010)


Article DOI: 10.1016/j.bmcl.2010.08.105
BindingDB Entry DOI: 10.7270/Q2Z89CNJ
More data for this
Ligand-Target Pair