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BDBM126170 US8778957, 3

SMILES: CC1(C)CN(Cc2ccc3cc4CC5(Cc4cc3n2)C(=O)Nc2ncccc52)[C@@H](Cc2ccccc2)C(=O)N1

InChI Key: InChIKey=YSPLXBLCPIVGCZ-BSXJZHEVSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 126170   
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))
BDBM126170
PNG
(US8778957, 3)
Show SMILES CC1(C)CN(Cc2ccc3cc4CC5(Cc4cc3n2)C(=O)Nc2ncccc52)[C@@H](Cc2ccccc2)C(=O)N1
Show InChI InChI=1S/C32H31N5O2/c1-31(2)19-37(27(29(38)36-31)13-20-7-4-3-5-8-20)18-24-11-10-21-14-22-16-32(17-23(22)15-26(21)34-24)25-9-6-12-33-28(25)35-30(32)39/h3-12,14-15,27H,13,16-19H2,1-2H3,(H,36,38)(H,33,35,39)/t27-,32?/m0/s1
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PC cid
PC sid
UniChem
US Patent
0.770 -12.4n/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