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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Calcitonin gene-related peptide type 1 receptor' and Ligand = 'BDBM50192581'   
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))
BDBM50192581
PNG
((R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ncccc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-11-5-4-9-20(22)23(18-7-2-1-3-8-18)35-24(26(38)40)36-27(41)37-15-12-19(13-16-37)39-25-21(34-28(39)42)10-6-14-33-25/h1-11,14,19,24H,12-13,15-17H2,(H,34,42)(H,36,41)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
427n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]CGRP from human recombinant CGRP receptor


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair
Calcitonin gene-related peptide type 1 receptor


(Homo sapiens (Human))
BDBM50192581
PNG
((R)-4-(2-oxo-1,2-dihydroimidazo[4,5-b]pyridin-3-yl...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ncccc3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C29H26F3N7O3/c30-29(31,32)17-38-22-11-5-4-9-20(22)23(18-7-2-1-3-8-18)35-24(26(38)40)36-27(41)37-15-12-19(13-16-37)39-25-21(34-28(39)42)10-6-14-33-25/h1-11,14,19,24H,12-13,15-17H2,(H,34,42)(H,36,41)/t24-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.14E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activity at CGRP receptor assessed as inhibition of CGRP-stimulated cAMP production


Bioorg Med Chem Lett 16: 5052-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.07.044
BindingDB Entry DOI: 10.7270/Q29S1QNX
More data for this
Ligand-Target Pair