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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 529.6
BDBM50548661

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))
BDBM50548661
PNG
(CHEMBL4787479)
Show SMILES CC(C)CN1Cc2c(C[C@@H](NC(=O)N3CCC(CC3)N3Cc4ccccc4NC3=O)C1=O)ccc1[nH]ncc21 |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at human CGRP receptor


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127624
BindingDB Entry DOI: 10.7270/Q2959N5N
More data for this
Ligand-Target Pair