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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
Compound Mol. Wt.
Chemical Structure
Pathways
Source Organism
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Name
SMILES
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/
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IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compounds Sorted by Binding Data per Compound
1
2
3
4
5
6
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8
9
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11
12
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132
133
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154
155
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159
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165
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171
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174
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183
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216
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237
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259
261
270
274
276
277
285
291
303
304
313
318
323
325
328
333
335
337
339
341
353
360
361
365
389
393
398
401
413
433
442
444
445
446
447
448
451
453
454
455
457
458
460
463
465
467
473
477
478
482
484
499
504
505
506
517
525
543
549
551
554
591
606
663
691
708
796
804
821
825
833
842
847
854
855
861
873
879
883
887
913
914
925
926
938
947
1010
1027
1050
1052
1081
1082
1102
1115
1130
1133
1206
1262
1543
1639
1903
2029
Compounds Sorted Alphabetically
Compound Name
(alphabetical)
Enz. Inhib. Data
ITC Data
Binding Targets
Alternate Compound Names
Ki
IC50
Kd
EC50
K
off
K
on
Other
BDBM15581
17
174
0
0
0
0
0
0
Acetylcholinesterase
Amine oxidase (flavin-containing) A
Amine oxidase [flavin-containing] B
Cholinesterases
Cytochrome P450 2B1
Monoamine Oxidase Type A (MAO-A)
Monoamine Oxidase Type B (MAO-B)
Monoamine oxidase
Monoamine oxidase A
Monoamine oxidase B
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
Sigma non-opioid intracellular receptor 1
CHEMBL8706
CLG
CLORGILINE
Clorgyline
N-[3-(2,4-dichlorophenoxy)propyl]-N-methyl-prop-2-yn-1-amine
US8633208, Clorgyline
US9603833, Clorgyline
[3-(2,4-dichlorophenoxy)propyl](methyl)prop-2-yn-1-ylamine
BDBM22914
165
12
3
11
0
0
0
0
5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
Alpha-1A adrenergic receptor
Alpha-2A adrenergic receptor
Alpha-2C adrenergic receptor
Beta-2 adrenergic receptor
Calcium channel
Calcium release-activated calcium channel
Cholecystokinin receptor
Cytochrome P450 3A
D(1A) dopamine receptor
D(3) dopamine receptor
Gamma-aminobutyric acid receptor subunit alpha-1
Glutamate receptor ionotropic, NMDA 1
Glycine
Glycine, non-strychnine
HRH3
HTR1D
HTR3A
HTR4
Histamine H1 receptor
Histamine H2 Receptor
Histamine H2 receptor
Histamine H3 receptor
Histamine H4 Receptor
Histamine H4 receptor
Histamine receptor (H3 and H4)
Imidazoline I1
Kappa-type opioid receptor
Melatonin
Mu-type opioid receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Opioid receptors; mu & delta
SLC6A4
Serotonin (5-HT) receptor
Serotonin 1B/1D receptor
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
Sigma non-opioid intracellular receptor 1
Substance P
Voltage-gated sodium channel subunit alpha Nav1.8
adrenergic Alpha2
CHEMBL260374
N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide
Thioperamide
BDBM35254
171
19
1
0
0
0
0
0
5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2B
5-hydroxytryptamine receptor 2C
5-hydroxytryptamine receptor 6
5-hydroxytryptamine receptor 7
Adrenergic receptor alpha-1
Adrenergic receptor alpha-2
Adrenergic receptor beta
Alpha adrenergic receptor 1A and 1B
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
Alpha-1A adrenergic receptor
Alpha-2A adrenergic receptor
Alpha-2C adrenergic receptor
Bile salt export pump
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
D(1A) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
D(4) dopamine receptor
Dopamine receptor
Histamine H1 receptor
Histone H1
Multidrug resistance-associated protein 4
Muscarinic acetylcholine receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2 and M4
Norepinephrine Monoamine transporters
Potassium voltage-gated channel subfamily H member 2
Serotonin 2 (5-HT2) receptor
Sodium-dependent serotonin transporter
Transporter
2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3-b][1,5]benzodiazepine
CHEMBL715
OLANZAPINE
Olansek
US8802672, Olanzapine
Zyprexa
olanzapine