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BDBM50268473 (R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(7-fluoro-2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxylate::CHEMBL451164

SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=OMYMZQIZNWNMOZ-WJOKGBTCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268473   
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 type 1 receptor


(Homo sapiens (Human))
BDBM50268473
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)N2Cc3ccc(F)cc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C35H44FN7O4/c1-23-17-24(18-26-21-37-39-32(23)26)19-31(33(44)41-13-7-28(8-14-41)40-11-3-2-4-12-40)47-35(46)42-15-9-29(10-16-42)43-22-25-5-6-27(36)20-30(25)38-34(43)45/h5-6,17-18,20-21,28-29,31H,2-4,7-16,19,22H2,1H3,(H,37,39)(H,38,45)/t31-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 0.0220n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned CGRP receptor expressed in mouse E10 cells assessed as inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 19: 3555-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.150
BindingDB Entry DOI: 10.7270/Q2WM1DBQ
More data for this
Ligand-Target Pair