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BDBM50268481 (R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate::CHEMBL447297

SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)C2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=IMDZWNUQVIIKIH-JGCGQSQUSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268481   
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))
BDBM50268481
PNG
((R)-1-(4-cyclohexylpiperazin-1-yl)-3-(7-methyl-1H-...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCN(CC2)C2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H44N6O4/c1-24-19-25(20-28-23-37-39-33(24)28)21-32(35(44)41-17-15-40(16-18-41)29-8-3-2-4-9-29)46-36(45)42-13-11-26(12-14-42)30-22-27-7-5-6-10-31(27)38-34(30)43/h5-7,10,19-20,22-23,26,29,32H,2-4,8-9,11-18,21H2,1H3,(H,37,39)(H,38,43)/t32-/m1/s1
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MMDB

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Article
PubMed
n/an/a 0.0200n/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