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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 = 'BDBM50329176'   
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))
BDBM50329176
PNG
(CHEMBL1269646 | N-(((R)-2,3-dihydro-1H-inden-1-yl)...)
Show SMILES CC(C)(C)C(=O)N(C[C@@H]1CCc2ccccc12)Cc1cnc2nc3C[C@]4(Cc3cc2c1)C(=O)Nc1ncccc41
Show InChI InChI=1/C33H33N5O2/c1-32(2,3)31(40)38(19-22-11-10-21-7-4-5-8-25(21)22)18-20-13-23-14-24-15-33(16-27(24)36-28(23)35-17-20)26-9-6-12-34-29(26)37-30(33)39/h4-9,12-14,17,22H,10-11,15-16,18-19H2,1-3H3,(H,34,37,39)/t22-,33-/s2
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Similars

Article
PubMed
0.150n/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