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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 = 'BDBM362178'   
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))
BDBM362178
PNG
(US10272077, Example 8 from U.S. Pat. No. 7,390,798...)
Show SMILES CN1C[C@@H](CC[C@@H](NC(=O)c2ccc3CC4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cccc(F)c1F
Show InChI InChI=1S/C29H26F2N4O3/c1-35-15-18(20-4-2-6-22(30)24(20)31)9-10-23(27(35)37)33-26(36)16-7-8-17-13-29(14-19(17)12-16)21-5-3-11-32-25(21)34-28(29)38/h2-8,11-12,18,23H,9-10,13-15H2,1H3,(H,33,36)(H,32,34,38)/t18-,23-,29?/m1/s1
PDB

GoogleScholar
UniChem
US Patent
7.40n/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