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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50315403'   
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))
BDBM50315403
PNG
((R)-6-methyl-1-((2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(Cc1ccc3cc4C[C@]5(Cc4cc3n1)C(=O)Nc1ncccc51)c2=O |r|
Show InChI InChI=1S/C29H22N6O3/c1-33-22-5-2-6-23-25(22)35(15-24(33)36)28(38)34(23)14-19-8-7-16-10-17-12-29(13-18(17)11-21(16)31-19)20-4-3-9-30-26(20)32-27(29)37/h2-11H,12-15H2,1H3,(H,30,32,37)/t29-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
0.410n/an/an/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315403
PNG
((R)-6-methyl-1-((2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(Cc1ccc3cc4C[C@]5(Cc4cc3n1)C(=O)Nc1ncccc51)c2=O |r|
Show InChI InChI=1S/C29H22N6O3/c1-33-22-5-2-6-23-25(22)35(15-24(33)36)28(38)34(23)14-19-8-7-16-10-17-12-29(13-18(17)11-21(16)31-19)20-4-3-9-30-26(20)32-27(29)37/h2-11H,12-15H2,1H3,(H,30,32,37)/t29-/m1/s1
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50315403
PNG
((R)-6-methyl-1-((2'-oxo-1',2',6,8-tetrahydrospiro[...)
Show SMILES CN1C(=O)Cn2c3c1cccc3n(Cc1ccc3cc4C[C@]5(Cc4cc3n1)C(=O)Nc1ncccc51)c2=O |r|
Show InChI InChI=1S/C29H22N6O3/c1-33-22-5-2-6-23-25(22)35(15-24(33)36)28(38)34(23)14-19-8-7-16-10-17-12-29(13-18(17)11-21(16)31-19)20-4-3-9-30-26(20)32-27(29)37/h2-11H,12-15H2,1H3,(H,30,32,37)/t29-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 95n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Antagonist activity at human CLR expressed in human HEK293 cells coexpressing human RAMP1 assessed as Inhibition of CGRP-induced cAMP production in t...


Bioorg Med Chem Lett 20: 2572-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.086
BindingDB Entry DOI: 10.7270/Q2765FFZ
More data for this
Ligand-Target Pair