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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide (CGRP alpha)' and Ligand = 'BDBM126175'   
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 (CGRP alpha)


(Homo sapiens (Human))
BDBM126175
PNG
(US8778957, 95)
Show SMILES CC1(Cc2ccccc2)N(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC2(CCCC2)NC1=O |r|
Show InChI InChI=1S/C35H35N5O2/c1-33(18-23-8-3-2-4-9-23)31(41)39-34(13-5-6-14-34)22-40(33)21-27-12-11-24-16-25-19-35(20-26(25)17-29(24)37-27)28-10-7-15-36-30(28)38-32(35)42/h2-4,7-12,15-17H,5-6,13-14,18-22H2,1H3,(H,39,41)(H,36,38,42)/t33?,35-/m0/s1
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PC cid
PC sid
UniChem
US Patent
17 -44.3n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)


BindingDB Entry DOI: 10.7270/Q29022G8
More data for this
Ligand-Target Pair