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Compile Data Set for Download or QSAR

Found 4 hits from ACADIA Pharmaceuticals A/S   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
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20n/an/an/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its binding against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00483-2
BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM86525
PNG
(AMI-193 | CAS_77445 | CHEMBL79834 | NSC_77445)
Show SMILES Fc1ccc(OCCCN2CCC3(CC2)N(CNC3=O)c2ccccc2)cc1
Show InChI InChI=1S/C22H26FN3O2/c23-18-7-9-20(10-8-18)28-16-4-13-25-14-11-22(12-15-25)21(27)24-17-26(22)19-5-2-1-3-6-19/h1-3,5-10H,4,11-17H2,(H,24,27)
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Article
PubMed
n/an/a 0.316n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00483-2
BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50093777
PNG
(CHEMBL81377 | N-Cyclooctyl-N-{1-[3-(4-fluoro-pheno...)
Show SMILES CCC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C25H39FN2O2/c1-2-25(29)28(22-9-6-4-3-5-7-10-22)23-15-18-27(19-16-23)17-8-20-30-24-13-11-21(26)12-14-24/h11-14,22-23H,2-10,15-20H2,1H3
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n/an/a 13n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00483-2
BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (human))
BDBM50451131
PNG
(AC-165043 | CHEMBL80093)
Show SMILES CC(C)NC(=O)N(C1CCN(CCCOc2ccc(F)cc2)CC1)C1CCCCCCC1
Show InChI InChI=1S/C26H42FN3O2/c1-21(2)28-26(31)30(23-9-6-4-3-5-7-10-23)24-15-18-29(19-16-24)17-8-20-32-25-13-11-22(27)12-14-25/h11-14,21,23-24H,3-10,15-20H2,1-2H3,(H,28,31)
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n/an/a 79n/an/an/an/an/an/a



ACADIA Pharmaceuticals A/S

Curated by ChEMBL


Assay Description
Compound was evaluated for its inverse agonist activity against 5-hydroxytryptamine 2A receptor


Bioorg Med Chem Lett 10: 2435-9 (2001)


Article DOI: 10.1016/s0960-894x(00)00483-2
BindingDB Entry DOI: 10.7270/Q2V69HTT
More data for this
Ligand-Target Pair