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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 = 'BDBM126171'   
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))
BDBM126171
PNG
(US8778957, 11)
Show SMILES Fc1ccc(cc1)C1NCCN(Cc2ccc3cc4C[C@]5(CNc6ncccc56)Cc4cc3n2)C1=O |r|
Show InChI InChI=1S/C29H26FN5O/c30-22-6-3-18(4-7-22)26-28(36)35(11-10-31-26)16-23-8-5-19-12-20-14-29(15-21(20)13-25(19)34-23)17-33-27-24(29)2-1-9-32-27/h1-9,12-13,26,31H,10-11,14-17H2,(H,32,33)/t26?,29-/m1/s1
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PC cid
PC sid
UniChem
US Patent
1.80 -49.9n/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