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Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide (CGRP alpha)' and Ligand = 'BDBM50356294'   
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 (CGRP alpha)


(Homo sapiens (human))
BDBM50356294
PNG
(CHEMBL1910949)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H22BrN3O6S/c1-16(2,3)26-12(21)9-18-15(23)13-14(22)10(17)8-11(19-13)20-6-4-5-7-27(20,24)25/h8,22H,4-7,9H2,1-3H3,(H,18,23)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide (CGRP alpha)


(Homo sapiens (human))
BDBM50356294
PNG
(CHEMBL1910949)
Show SMILES CC(C)(C)OC(=O)CNC(=O)c1nc(cc(Br)c1O)N1CCCCS1(=O)=O
Show InChI InChI=1S/C16H22BrN3O6S/c1-16(2,3)26-12(21)9-18-15(23)13-14(22)10(17)8-11(19-13)20-6-4-5-7-27(20,24)25/h8,22H,4-7,9H2,1-3H3,(H,18,23)
Reactome pathway

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.80E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of CGRP receptor in human SK-N-MC cells assessed as inhibition of CGRP-stimulated cAMP production after 1 hr


Bioorg Med Chem Lett 21: 6705-8 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.056
BindingDB Entry DOI: 10.7270/Q2ZK5H25
More data for this
Ligand-Target Pair