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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 = 'BDBM126189'   
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))
BDBM126189
PNG
(US8778957, 209)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc2C1
Show InChI InChI=1S/C26H29N5O2/c1-17-24(32)29-25(33)26(17)12-20-10-19-2-3-22(28-23(19)11-21(20)13-26)15-30-7-4-18(5-8-30)14-31-9-6-27-16-31/h2-3,6,9-11,16-18H,4-5,7-8,12-15H2,1H3,(H,29,32,33)
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PC cid
PC sid
UniChem
US Patent
85 -40.4n/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