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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 = 'BDBM126178'   
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))
BDBM126178
PNG
(US8778957, 76)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CCNCC4)nc3cc2C1 |r|
Show InChI InChI=1S/C23H23N5O/c29-22-23(19-2-1-5-25-21(19)27-22)12-16-10-15-3-4-18(14-28-8-6-24-7-9-28)26-20(15)11-17(16)13-23/h1-5,10-11,24H,6-9,12-14H2,(H,25,27,29)/t23-/m0/s1
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PC cid
PC sid
UniChem
US Patent
0.730 -52.1n/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