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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 = 'BDBM311886'   
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))
BDBM311886
PNG
(N-[(2R)-1-[4-(1H-imidazol-2-yl)-1,4'-bipiperidin-1...)
Show SMILES Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCC(CC2)c2ncc[nH]2)cc2cn[nH]c12
Show InChI InChI=1S/C39H47N9O3/c1-25-20-26(21-30-24-42-45-35(25)30)22-34(38(50)47-18-10-31(11-19-47)46-14-8-28(9-15-46)36-40-12-13-41-36)44-39(51)48-16-6-27(7-17-48)32-23-29-4-2-3-5-33(29)43-37(32)49/h2-5,12-13,20-21,23-24,27-28,31,34H,6-11,14-19,22H2,1H3,(H,40,41)(H,42,45)(H,43,49)(H,44,51)/t34-/m1/s1
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PC cid
PC sid
UniChem
US Patent
0.0500n/an/an/an/an/an/an/an/a



Heptares Therapeutics Limited

US Patent


Assay Description
Human CGRP receptors (consisting of CRLR and RAMP1) expressed in insect Sf21 cell membrane homogenates were re-suspended in the binding buffer (10 mM...


US Patent US10166226 (2019)

More data for this
Ligand-Target Pair