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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 611.7
BDBM50380830

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

Found 2 hits 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))
BDBM50380830
PNG
(CHEMBL2018506)
Show SMILES Cc1cc(CC(CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc32)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H45N7O3/c1-24-19-25(21-27-23-36-39-32(24)27)20-26(33(44)42-15-9-28(10-16-42)40-13-5-2-6-14-40)22-31(43)41-17-11-35(12-18-41)29-7-3-4-8-30(29)37-34(45)38-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,39)(H2,37,38,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.340n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [125]CGRP from human CGRP receptor expressed in human SK-N-MC cell membrane after 2 hrs by scintillation counting


Bioorg Med Chem Lett 22: 2912-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.066
BindingDB Entry DOI: 10.7270/Q2SN0B0F
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380830
PNG
(CHEMBL2018506)
Show SMILES Cc1cc(CC(CC(=O)N2CCC3(CC2)NC(=O)Nc2ccccc32)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H45N7O3/c1-24-19-25(21-27-23-36-39-32(24)27)20-26(33(44)42-15-9-28(10-16-42)40-13-5-2-6-14-40)22-31(43)41-17-11-35(12-18-41)29-7-3-4-8-30(29)37-34(45)38-35/h3-4,7-8,19,21,23,26,28H,2,5-6,9-18,20,22H2,1H3,(H,36,39)(H2,37,38,45)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Antagonist activity at human CGRP receptor expressed in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production


Bioorg Med Chem Lett 22: 2912-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.066
BindingDB Entry DOI: 10.7270/Q2SN0B0F
More data for this
Ligand-Target Pair