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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 = 'BDBM126180'   
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))
BDBM126180
PNG
(US8778957, 61)
Show SMILES CC(C)(C)OC(=O)N1CCN(Cc2ccc3cc4C[C@@]5(Cc4cc3n2)C(=O)Nc2ncccc52)CC1c1ccccc1 |r|
Show InChI InChI=1S/C34H35N5O3/c1-33(2,3)42-32(41)39-15-14-38(21-29(39)22-8-5-4-6-9-22)20-26-12-11-23-16-24-18-34(19-25(24)17-28(23)36-26)27-10-7-13-35-30(27)37-31(34)40/h4-13,16-17,29H,14-15,18-21H2,1-3H3,(H,35,37,40)/t29?,34-/m0/s1
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PC cid
PC sid
UniChem
US Patent
58 -41.3n/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