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BDBM50371302 CHEMBL408206

SMILES: CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C

InChI Key: InChIKey=NZBRXUBKIJFZOJ-UHFFFAOYSA-N

Data: 5 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50371302   
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
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50371302
PNG
(CHEMBL408206)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3
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PubMed
2.40n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human histamine H3 receptor


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50371302
PNG
(CHEMBL408206)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3
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PubMed
4.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of rat SERT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50371302
PNG
(CHEMBL408206)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3
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PubMed
6.30n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50371302
PNG
(CHEMBL408206)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3
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PubMed
82n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human NET


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50371302
PNG
(CHEMBL408206)
Show SMILES CNCc1cc(ccc1Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C22H27Cl2N3O2/c1-15(2)26-8-10-27(11-9-26)22(28)16-4-7-21(17(12-16)14-25-3)29-18-5-6-19(23)20(24)13-18/h4-7,12-13,15,25H,8-11,14H2,1-3H3
NCI pathway
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Article
PubMed
330n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Binding affinity to human DAT


Bioorg Med Chem Lett 18: 39-43 (2008)


Article DOI: 10.1016/j.bmcl.2007.11.016
BindingDB Entry DOI: 10.7270/Q2R49RMD
More data for this
Ligand-Target Pair