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Compile Data Set for Download or QSAR

Found 1 hit of kd for monomerid = 50224431   
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))
BDBM50224431
PNG
(CHEMBL236593 | MK-0974 | N-[(3R,6S)-6-(2,3-difluor...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)N3CCC(CC3)n3c4cccnc4[nH]c3=O)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C26H27F5N6O3/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)36(13-15)14-26(29,30)31)33-24(39)35-11-8-16(9-12-35)37-20-5-2-10-32-22(20)34-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,33,39)(H,32,34,40)/t15-,19-/m1/s1
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Article
PubMed
n/an/an/a 1.90n/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Reversible saturable binding affinity to human CGRP receptor using [3H]-labeled compound


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
3D
3D Structure (crystal)