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BDBM126187 US8778957, 147

SMILES: CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1

InChI Key: InChIKey=WQFCJGGOCKSKQC-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126187   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (Human))
BDBM126187
PNG
(US8778957, 147)
Show SMILES CC1C(=O)NC(=O)C11Cc2cc3ccc(CN4CCC(Cc5ccccc5)CC4)nc3cc2C1
Show InChI InChI=1S/C29H31N3O2/c1-19-27(33)31-28(34)29(19)16-23-14-22-7-8-25(30-26(22)15-24(23)17-29)18-32-11-9-21(10-12-32)13-20-5-3-2-4-6-20/h2-8,14-15,19,21H,9-13,16-18H2,1H3,(H,31,33,34)
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GoogleScholar
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PC cid
PC sid
UniChem
US Patent
1.10E+3 -8.12n/an/an/an/an/a7.425



Merck Sharp & Dohme Corp.

US Patent


Assay Description
Cells expressing recombinant human CL receptor/RAMP1 were washed with PBS and harvested in harvest buffer containing 50 mM HEPES, 1 mM EDTA and Compl...


US Patent US8778957 (2014)


BindingDB Entry DOI: 10.7270/Q29022G8
More data for this
Ligand-Target Pair