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SMILES: Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12

InChI Key: InChIKey=JEMFIEOMEUZLBA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50380814   
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))
BDBM50380814
PNG
(CHEMBL2018505)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.0890n/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
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50380814
PNG
(CHEMBL2018505)
Show SMILES Cc1cc(CC(CC(=O)N2CCC(CC2)N2Cc3cccc(F)c3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
Show InChI InChI=1S/C36H46FN7O3/c1-24-18-25(20-28-22-38-40-33(24)28)19-27(35(46)43-16-8-29(9-17-43)41-12-3-2-4-13-41)21-32(45)42-14-10-30(11-15-42)44-23-26-6-5-7-31(37)34(26)39-36(44)47/h5-7,18,20,22,27,29-30H,2-4,8-17,19,21,23H2,1H3,(H,38,40)(H,39,47)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.180n/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