Brief Information of the Compound and Protein
Compound Name
3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine
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PubChem ID
CID: 3696
SID: 15222228
Canonical SMILES
CN(C)CCCN1c2ccccc2CCc2ccccc12
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Compound Formula C19H24N2
Compound Structure
Protein Name
Sodium-dependent serotonin transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC06 neurotransmitter transporter family
Uniprot ID
P31645
Gene Name
SLC6A4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  3
1
IC50 = 0.88 nM
   TI
   LI
   LO
   TS
2
IC50 = 5.1 nM
   TI
   LI
   LO
   TS
3
Ki = 2.1 nM
   TI
   LI
   LO
   TS
CL000362 GripTite 293 MSR Homo sapiens (Human)  5
1
IC50 = 2.6 nM
   TI
   LI
   LO
   TS
2
IC50 = 29 nM
   TI
   LI
   LO
   TS
3
Ki = 5.7 nM
   TI
   LI
   LO
   TS
4
Ki = 31 nM
   TI
   LI
   LO
   TS
5
Ki = 1300 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  5
1
IC50 = 6.8 nM
   TI
   LI
   LO
   TS
2
IC50 = 8 nM
   TI
   LI
   LO
   TS
3
Ki = 1 nM
   TI
   LI
   LO
   TS
4
Ki = 2 nM
   TI
   LI
   LO
   TS
5
Ki = 2.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1.1 nM
2 IC50 = 2 nM
3 IC50 = 3.5 nM
4 IC50 = 4.1 nM
5 IC50 = 4.4 nM
6 IC50 = 6.9 nM
7 IC50 = 7.3 nM
8 IC50 = 29 nM
9 Ki = 0.52 nM
10 Ki = 0.77 nM
11 Ki = 1.9 nM
12 Ki = 3.2 nM
13 Ki = 5 nM
14 Ki = 7.57 nM
15 Ki = 20 nM
16 Ki = 20.3 nM