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BDBM50268475 (R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxopropan-2-yl 4-(8-fluoro-2-oxo-1,2-dihydroquinolin-3-yl)piperidine-1-carboxylate::CHEMBL452686

SMILES: Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3cccc(F)c3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=VSFVJUGJKGGXCD-WJOKGBTCSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50268475   
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))
BDBM50268475
PNG
((R)-1-(1,4'-bipiperidin-1'-yl)-3-(7-methyl-1H-inda...)
Show SMILES Cc1cc(C[C@@H](OC(=O)N2CCC(CC2)c2cc3cccc(F)c3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12 |r|
Show InChI InChI=1S/C36H43FN6O4/c1-23-18-24(19-27-22-38-40-32(23)27)20-31(35(45)42-16-10-28(11-17-42)41-12-3-2-4-13-41)47-36(46)43-14-8-25(9-15-43)29-21-26-6-5-7-30(37)33(26)39-34(29)44/h5-7,18-19,21-22,25,28,31H,2-4,8-17,20H2,1H3,(H,38,40)(H,39,44)/t31-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 0.0570n/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