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BDBM362176 US10272077, Example 30::US9833448, Example 30

SMILES: C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1

InChI Key: InChIKey=XLAANMGBSWWGLO-OHPPIPJNSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 362176   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CGRP type 1 receptor


(Homo sapiens (Human))
BDBM362176
PNG
(US10272077, Example 30 | US9833448, Example 30)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1
PDB

GoogleScholar
UniChem
US Patent
0.140n/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
Calcitonin receptor-like receptor (CLR)


(Homo sapiens (Human))
BDBM362176
PNG
(US10272077, Example 30 | US9833448, Example 30)
Show SMILES C[C@@H]1[C@@H](C[C@H](NC(=O)c2cnc3C[C@]4(Cc3c2)C(=O)Nc2ncc(cc42)C#N)C(=O)N1CC(F)(F)F)c1ccccc1
Show InChI InChI=1S/C30H25F3N6O3/c1-16-21(18-5-3-2-4-6-18)9-23(27(41)39(16)15-30(31,32)33)37-26(40)20-8-19-10-29(11-24(19)35-14-20)22-7-17(12-34)13-36-25(22)38-28(29)42/h2-8,13-14,16,21,23H,9-11,15H2,1H3,(H,37,40)(H,36,38,42)/t16-,21-,23+,29+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
0.140n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
Cells were resuspended in DMEM/F12 (Hyclone) supplemented with 1 g/L BSA and 300 μM isobutyl-methylxanthine. Cells were then plated in a 384-wel...


US Patent US9833448 (2017)


BindingDB Entry DOI: 10.7270/Q2BP052K
More data for this
Ligand-Target Pair