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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 = 'BDBM362179'   
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))
BDBM362179
PNG
(US10272077, Example 9 from U.S. Pat. No. 7,390,798...)
Show SMILES Fc1cccc([C@@H]2CC[C@@H](NC(=O)c3ccc4CC5(Cc4c3)C(=O)Nc3ncccc53)C(=O)N(CC(F)(F)F)C2)c1F
Show InChI InChI=1S/C30H25F5N4O3/c31-22-5-1-3-20(24(22)32)18-8-9-23(27(41)39(14-18)15-30(33,34)35)37-26(40)16-6-7-17-12-29(13-19(17)11-16)21-4-2-10-36-25(21)38-28(29)42/h1-7,10-11,18,23H,8-9,12-15H2,(H,37,40)(H,36,38,42)/t18-,23-,29?/m1/s1
PDB

GoogleScholar
UniChem
US Patent
1.90n/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