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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2A' AND taxid = 9615   
Target
(Institution)
LigandTarget
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
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50324542
PNG
(2-[4-(4-Chloro-1-methyl-1H-pyrazole-3-carbonyl)pip...)
Show SMILES Cn1cc(Cl)c(n1)C(=O)N1CCN(CC(=O)c2ccc(F)cc2)CC1
Show InChI InChI=1S/C17H18ClFN4O2/c1-21-10-14(18)16(20-21)17(25)23-8-6-22(7-9-23)11-15(24)12-2-4-13(19)5-3-12/h2-5,10H,6-9,11H2,1H3
KEGG

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PC sid
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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals.

Curated by ChEMBL


Assay Description
Binding affinity to dog 5HT2A receptor


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50301292
PNG
(4-Benzyl-3-methyl-7,8,9,10-tetrahyd ro-6H-1,2,3a,5...)
Show SMILES Cc1nnc2c3CCNCCc3nc(Cc3ccccc3)n12
Show InChI InChI=1S/C17H19N5/c1-12-20-21-17-14-7-9-18-10-8-15(14)19-16(22(12)17)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
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Article
PubMed
n/an/an/an/a 1.60E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in dog bladder strip


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50019662
PNG
(CHEMBL3286560)
Show SMILES COc1nc(Cc2ccccc2)nc2CCNCCc12
Show InChI InChI=1S/C16H19N3O/c1-20-16-13-7-9-17-10-8-14(13)18-15(19-16)11-12-5-3-2-4-6-12/h2-6,17H,7-11H2,1H3
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PubMed
n/an/an/an/a>1.00E+4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in beagle dog femoral arteries tissue after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5HT2A receptor in dog femoral artery


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50342538
PNG
(2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azep...)
Show SMILES C(c1ccccc1)c1ncc2CCNCCc2n1
Show InChI InChI=1S/C15H17N3/c1-2-4-12(5-3-1)10-15-17-11-13-6-8-16-9-7-14(13)18-15/h1-5,11,16H,6-10H2
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PC sid
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Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in beagle dog femoral arteries tissue after 1 hr


Citation and Details
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Canis familiaris)
BDBM50301291
PNG
(4-Benzyl-2-methyl-7,8,9,10-tetrahyd ro-6H-1,3,3a,5...)
Show SMILES Cc1nc2c3CCNCCc3nc(Cc3ccccc3)n2n1
Show InChI InChI=1S/C17H19N5/c1-12-19-17-14-7-9-18-10-8-15(14)20-16(22(17)21-12)11-13-5-3-2-4-6-13/h2-6,18H,7-11H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 1.80E+3n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Agonist activity at 5-HT2A receptor in dog bladder strip


Citation and Details
More data for this
Ligand-Target Pair