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SMILES: Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl

InChI Key: InChIKey=IXCOCXDWNZNCFL-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 3 hits for monomerid = 50343262   
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
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50343262
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29)
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50343262
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29)
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Article
PubMed
2.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to human 5HT2A receptor


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50343262
PNG
(7-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)...)
Show SMILES Clc1cccc(N2CCN(CCCCOc3cc4[nH]c(=O)ccc4cn3)CC2)c1Cl
Show InChI InChI=1S/C22H24Cl2N4O2/c23-17-4-3-5-19(22(17)24)28-11-9-27(10-12-28)8-1-2-13-30-21-14-18-16(15-25-21)6-7-20(29)26-18/h3-7,14-15H,1-2,8-13H2,(H,26,29)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
40.7n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells


Bioorg Med Chem Lett 21: 2621-5 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.059
BindingDB Entry DOI: 10.7270/Q29K4BJ3
More data for this
Ligand-Target Pair