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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 = 'BDBM50315402'   
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))
BDBM50315402
PNG
((S)-6-methyl-1-((3'-methyl-2',5'-dioxo-6,8-dihydro...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6N(C)C(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-29-19-4-3-5-20-22(19)32(13-21(29)33)25(36)31(20)12-17-7-6-14-8-15-10-26(11-16(15)9-18(14)27-17)23(34)28-24(35)30(26)2/h3-9H,10-13H2,1-2H3,(H,28,34,35)/t26-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
3n/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))
BDBM50315402
PNG
((S)-6-methyl-1-((3'-methyl-2',5'-dioxo-6,8-dihydro...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6N(C)C(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-29-19-4-3-5-20-22(19)32(13-21(29)33)25(36)31(20)12-17-7-6-14-8-15-10-26(11-16(15)9-18(14)27-17)23(34)28-24(35)30(26)2/h3-9H,10-13H2,1-2H3,(H,28,34,35)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 33n/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))
BDBM50315402
PNG
((S)-6-methyl-1-((3'-methyl-2',5'-dioxo-6,8-dihydro...)
Show SMILES CN1C(=O)NC(=O)[C@@]11Cc2cc3ccc(Cn4c5cccc6N(C)C(=O)Cn(c56)c4=O)nc3cc2C1 |r|
Show InChI InChI=1S/C26H22N6O4/c1-29-19-4-3-5-20-22(19)32(13-21(29)33)25(36)31(20)12-17-7-6-14-8-15-10-26(11-16(15)9-18(14)27-17)23(34)28-24(35)30(26)2/h3-9H,10-13H2,1-2H3,(H,28,34,35)/t26-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.20E+3n/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