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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 468.4
BDBM50254857

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50254857
PNG
((R)-N-(2,5-dioxo-1',3'-dihydrospiro[imidazolidine-...)
Show SMILES O=C(Cn1c2ccccc2n(-c2ccccn2)c1=O)Nc1ccc2C[C@]3(Cc2c1)NC(=O)NC3=O |r|
Show InChI InChI=1S/C25H20N6O4/c32-21(27-17-9-8-15-12-25(13-16(15)11-17)22(33)28-23(34)29-25)14-30-18-5-1-2-6-19(18)31(24(30)35)20-7-3-4-10-26-20/h1-11H,12-14H2,(H,27,32)(H2,28,29,33,34)/t25-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Merck& Co

Curated by ChEMBL


Assay Description
Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1


Bioorg Med Chem Lett 19: 214-7 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.106
BindingDB Entry DOI: 10.7270/Q21C1XSK
More data for this
Ligand-Target Pair