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SMILES: CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12

InChI Key: InChIKey=VCDWPVFNXMVFOB-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50171661   
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))
BDBM50171661
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
Show InChI InChI=1S/C30H32N4OS/c1-22(35)34-17-15-25(23-8-3-2-4-9-23)26-12-7-10-24(29(26)34)14-16-32-18-20-33(21-19-32)30-27-11-5-6-13-28(27)36-31-30/h2-13,25H,14-21H2,1H3
PDB
MMDB

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PC cid
PC sid
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Similars

Article
PubMed
2.15n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50171661
PNG
(1-{8-[2-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)...)
Show SMILES CC(=O)N1CCC(c2ccccc2)c2cccc(CCN3CCN(CC3)c3nsc4ccccc34)c12
Show InChI InChI=1S/C30H32N4OS/c1-22(35)34-17-15-25(23-8-3-2-4-9-23)26-12-7-10-24(29(26)34)14-16-32-18-20-33(21-19-32)30-27-11-5-6-13-28(27)36-31-30/h2-13,25H,14-21H2,1H3
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antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Binding affinity against Dopamine receptor D2 expressed in CHO cells


Bioorg Med Chem Lett 15: 4560-3 (2005)


Article DOI: 10.1016/j.bmcl.2005.06.097
BindingDB Entry DOI: 10.7270/Q27S7NBQ
More data for this
Ligand-Target Pair