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BDBM126186 US8778957, 115

SMILES: O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)OCc4ccccc54)nc3cc2C1

InChI Key: InChIKey=BYSHUMWQWHSPMZ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 126186   
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))
BDBM126186
PNG
(US8778957, 115)
Show SMILES O=C1Nc2ncccc2C11Cc2cc3ccc(CN4CCC5(CC4)OCc4ccccc54)nc3cc2C1
Show InChI InChI=1S/C31H28N4O2/c36-29-30(26-6-3-11-32-28(26)34-29)16-22-14-20-7-8-24(33-27(20)15-23(22)17-30)18-35-12-9-31(10-13-35)25-5-2-1-4-21(25)19-37-31/h1-8,11,14-15H,9-10,12-13,16-19H2,(H,32,34,36)
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PC cid
PC sid
UniChem
US Patent
7.40E+3 -6.99n/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