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BDBM362178 US10272077, Example 8 from U.S. Pat. No. 7,390,798::US9833448, Example 8 from U.S. Pat. No. 7,390,798

SMILES: CN1C[C@@H](CC[C@@H](NC(=O)c2ccc3CC4(Cc3c2)C(=O)Nc2ncccc42)C1=O)c1cccc(F)c1F

InChI Key: InChIKey=BZPVIHOWUYCVHT-HZWJCNPPSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 362178   
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))
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
Calcitonin receptor-like receptor (CLR)


(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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
UniChem
US Patent
7.40n/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