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BDBM50371303 CHEMBL273157

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

InChI Key: InChIKey=YIRWGCANORBOOM-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 = 50371303   
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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
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PubMed
4.30n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of human 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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
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PubMed
5.80n/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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
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PubMed
8.10n/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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
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470n/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))
BDBM50371303
PNG
(CHEMBL273157)
Show SMILES CNCc1cc(ccc1Oc1ccc(SC)c(C)c1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C24H33N3O2S/c1-17(2)26-10-12-27(13-11-26)24(28)19-6-8-22(20(15-19)16-25-4)29-21-7-9-23(30-5)18(3)14-21/h6-9,14-15,17,25H,10-13,16H2,1-5H3
NCI pathway
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Article
PubMed
4.00E+3n/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