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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'CGRP type 1 receptor' and Ligand = 'BDBM362172'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM362172
PNG
(US10272077, Example 6 | US9833448, Example 6)
Show SMILES Fc1ccccc1[C@@H]1C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncccc42)C(=O)N(CC(F)(F)F)C1
Show InChI InChI=1S/C28H23F4N5O3/c29-20-6-2-1-4-18(20)17-9-21(25(39)37(13-17)14-28(30,31)32)35-24(38)16-8-15-10-27(11-22(15)34-12-16)19-5-3-7-33-23(19)36-26(27)40/h1-8,12,17,21H,9-11,13-14H2,(H,35,38)(H,33,36,40)/t17-,21+,27+/m1/s1
PDB

GoogleScholar
UniChem
US Patent
0.210n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
The binding of 125I-CGRP to receptors in SK-N-MC cell membranes was carried out essentially as described (Edvinsson et al. (2001) Eur. J. Pharmacol. ...


US Patent US10272077 (2019)


BindingDB Entry DOI: 10.7270/Q25X2C8C
More data for this
Ligand-Target Pair