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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Adenomatous polyposis coli protein' and Ligand = 'BDBM50407493'   
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
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50407493
PNG
(CHEMBL5288446)
Show SMILES COc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1OC
Show InChI InChI=1S/C16H16N4O2S/c1-21-11-7-6-9(8-12(11)22-2)23-13-5-3-4-10-14(13)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

15n/an/an/an/an/an/an/an/a


TBA

Assay Description
Relative potency against Histamine H1 receptor in rat aorta


Citation and Details
More data for this
Ligand-Target Pair
Adenomatous polyposis coli protein


(Homo sapiens (Human))
BDBM50407493
PNG
(CHEMBL5288446)
Show SMILES COc1ccc(Sc2cccc3nc(N)nc(N)c23)cc1OC
Show InChI InChI=1S/C16H16N4O2S/c1-21-11-7-6-9(8-12(11)22-2)23-13-5-3-4-10-14(13)15(17)20-16(18)19-10/h3-8H,1-2H3,(H4,17,18,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Antagonistic activity for carbachol induced contractions in guinea pig ileum against Muscarinic acetylcholine receptor M3 in the presence of mepyrami...


Citation and Details
More data for this
Ligand-Target Pair