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BDBM50150461 CHEMBL3769447

SMILES: COC(=O)c1ccccc1N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1

InChI Key: InChIKey=NMHCVXFCRULPKG-GDLZYMKVSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50150461   
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))
BDBM50150461
PNG
(CHEMBL3769447)
Show SMILES COC(=O)c1ccccc1N1CCN(CC1)C(=O)N[C@H](Cc1cc(C)c2[nH]ncc2c1)C(=O)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C34H45N7O4/c1-24-20-25(21-26-23-35-37-31(24)26)22-29(32(42)40-14-10-27(11-15-40)38-12-6-3-7-13-38)36-34(44)41-18-16-39(17-19-41)30-9-5-4-8-28(30)33(43)45-2/h4-5,8-9,20-21,23,27,29H,3,6-7,10-19,22H2,1-2H3,(H,35,37)(H,36,44)/t29-/m1/s1
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PC sid
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Similars

Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Bristol-Myers Squibb Discovery

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from alpha CGRP in human SK-N-MC cells after 2 hrs by scintillation counter


Bioorg Med Chem Lett 26: 1229-32 (2016)


Article DOI: 10.1016/j.bmcl.2016.01.026
BindingDB Entry DOI: 10.7270/Q2NG4SH3
More data for this
Ligand-Target Pair