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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 = 'BDBM50192570'   
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))
BDBM50192570
PNG
((R)-4-(2-oxo-1,2-dihydronaphtho[1,2-d]imidazol-3-y...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc4ccccc4c3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C34H29F3N6O3/c35-34(36,37)20-42-26-13-7-6-12-25(26)28(22-9-2-1-3-10-22)38-30(31(42)44)40-32(45)41-18-16-23(17-19-41)43-27-15-14-21-8-4-5-11-24(21)29(27)39-33(43)46/h1-15,23,30H,16-20H2,(H,39,46)(H,40,45)/t30-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27n/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))
BDBM50192570
PNG
((R)-4-(2-oxo-1,2-dihydronaphtho[1,2-d]imidazol-3-y...)
Show SMILES FC(F)(F)CN1c2ccccc2C(=N[C@@H](NC(=O)N2CCC(CC2)n2c3ccc4ccccc4c3[nH]c2=O)C1=O)c1ccccc1 |c:13|
Show InChI InChI=1S/C34H29F3N6O3/c35-34(36,37)20-42-26-13-7-6-12-25(26)28(22-9-2-1-3-10-22)38-30(31(42)44)40-32(45)41-18-16-23(17-19-41)43-27-15-14-21-8-4-5-11-24(21)29(27)39-33(43)46/h1-15,23,30H,16-20H2,(H,39,46)(H,40,45)/t30-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 369n/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