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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for monomerid = 50382778   
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))
BDBM50382778
PNG
(CHEMBL2022600)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(=O)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H39N7O4/c1-23-17-24(18-27-21-37-39-32(23)27)19-31(30-20-25(9-12-36-30)33(43)40-13-5-2-6-14-40)46-35(45)41-15-10-28(11-16-41)42-22-26-7-3-4-8-29(26)38-34(42)44/h3-4,7-9,12,17-18,20-21,28,31H,2,5-6,10-11,13-16,19,22H2,1H3,(H,37,39)(H,38,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0990n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50382778
PNG
(CHEMBL2022600)
Show SMILES Cc1cc(CC(OC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)c2cc(ccn2)C(=O)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C35H39N7O4/c1-23-17-24(18-27-21-37-39-32(23)27)19-31(30-20-25(9-12-36-30)33(43)40-13-5-2-6-14-40)46-35(45)41-15-10-28(11-16-41)42-22-26-7-3-4-8-29(26)38-34(42)44/h3-4,7-9,12,17-18,20-21,28,31H,2,5-6,10-11,13-16,19,22H2,1H3,(H,37,39)(H,38,44)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.280n/an/an/an/an/an/a



Bristol-Myers Squibb Research& Development

Curated by ChEMBL


Assay Description
Displacement of [I125]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs by gamma or scintillation counting


Bioorg Med Chem Lett 22: 2917-21 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.065
BindingDB Entry DOI: 10.7270/Q2FQ9XN0
More data for this
Ligand-Target Pair