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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 = 'BDBM362181'   
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))
BDBM362181
PNG
(US10272077, Example 32 from U.S. Pat. No. 7,390,79...)
Show SMILES CC(C)(O)c1cnc2[C@@H](CC[C@H](Cn12)c1cccc(F)c1F)NC(=O)c1cc2CC3(Cc2cn1)C(=O)Nc1ncccc31
Show InChI InChI=1S/C32H30F2N6O3/c1-31(2,43)25-15-37-28-23(9-8-17(16-40(25)28)20-5-3-7-22(33)26(20)34)38-29(41)24-11-18-12-32(13-19(18)14-36-24)21-6-4-10-35-27(21)39-30(32)42/h3-7,10-11,14-15,17,23,43H,8-9,12-13,16H2,1-2H3,(H,38,41)(H,35,39,42)/t17-,23-,32?/m1/s1
PDB

GoogleScholar
UniChem
US Patent
4.30n/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