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BDBM126177 US8778957, 88

SMILES: O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc2C1

InChI Key: InChIKey=FOJKIJVGVRNVIS-SJHOIFEDSA-N

Data: 1 KI

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126177   
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))
BDBM126177
PNG
(US8778957, 88)
Show SMILES O=C1Nc2ncccc2[C@@]11Cc2cc3ccc(CN4CC5(CCCC5)NC(=O)[C@H]4Cc4ccccc4)nc3cc2C1 |r|
Show InChI InChI=1S/C34H33N5O2/c40-31-29(15-22-7-2-1-3-8-22)39(21-33(38-31)12-4-5-13-33)20-26-11-10-23-16-24-18-34(19-25(24)17-28(23)36-26)27-9-6-14-35-30(27)37-32(34)41/h1-3,6-11,14,16-17,29H,4-5,12-13,15,18-21H2,(H,38,40)(H,35,37,41)/t29-,34+/m1/s1
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PC cid
PC sid
UniChem
US Patent
2.60 -11.7n/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)

More data for this
Ligand-Target Pair