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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Pituitary adenylate cyclase-activating polypeptide type I receptor' and Ligand = 'BDBM50374187'   
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
Pituitary adenylate cyclase-activating polypeptide type I receptor


(Homo sapiens (Human))
BDBM50374187
PNG
(CHEMBL256379)
Show SMILES COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccccc1
Show InChI InChI=1S/C23H21ClN2O5/c1-29-20-10-16(13-25-26-23(28)17-8-9-19(27)18(24)12-17)11-21(30-2)22(20)31-14-15-6-4-3-5-7-15/h3-13,27H,14H2,1-2H3,(H,26,28)/b25-13+
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Similars

Article
PubMed
185n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [125I]PACAP27 from PAC1R expressed in HEK293f cells


Bioorg Med Chem Lett 18: 2162-6 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.052
BindingDB Entry DOI: 10.7270/Q22J6CQ0
More data for this
Ligand-Target Pair