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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 = 'BDBM362173'   
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))
BDBM362173
PNG
(US10272077, Example 11 | US9833448, Example 11)
Show SMILES Fc1cccc(Cl)c1[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/C28H22ClF4N5O3/c29-18-4-1-5-19(30)22(18)16-8-20(25(40)38(12-16)13-28(31,32)33)36-24(39)15-7-14-9-27(10-21(14)35-11-15)17-3-2-6-34-23(17)37-26(27)41/h1-7,11,16,20H,8-10,12-13H2,(H,36,39)(H,34,37,41)/t16-,20+,27+/m1/s1
PDB

GoogleScholar
UniChem
US Patent
0.25n/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