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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
Number of Compounds
Monomer List in csv
Het List in SDF
Compound
FDA Drugs
Important Compounds
Chemical Structure
Name
SMILES
Number of Data
/
Targets
Special tools
3D Structure Series
Find My Compound's Targets
Find Compounds for My Targets
Do Virtual Screening
SCOP
Citation
Author
Journal/Citation
Institution
PubMed
PubChem BioAssay
US Patent
Special Data Sets
D3R
Host Guest Systems
Prot-Lig Validation Sets
Other Databases
PDB
85%
100%
Seq ID
UniProtKB/Swiss-Prot
UniProtKB/TrEMBL
PubMed
Download
All Compounds & Data
Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
Enter Data
Deposition
Contribute data
Sent Comments
List of Compound Names by the Number of Data
Number of Binding Data
per Compound
Number of Compounds
1
396233
2
204056
3
78965
4
45690
5
17391
6
14481
7
5478
8
5279
9
2913
10
2055
11
1302
12
1616
13
764
14
580
15
480
16
379
17
309
18
291
19
180
20
171
21
149
22
113
23
119
24
107
25
82
26
66
27
76
28
73
29
60
30
58
31
43
32
49
33
47
34
35
35
33
36
39
37
25
38
28
39
35
40
28
41
22
42
14
43
15
44
23
45
21
46
26
47
14
48
17
49
13
50
7
51
7
52
28
53
10
54
12
55
13
56
11
57
6
58
10
59
8
60
13
61
8
62
10
63
8
64
12
65
12
66
6
67
8
68
9
69
1
70
7
71
5
72
8
73
5
74
10
75
7
76
6
77
4
78
4
79
3
80
6
81
5
82
6
83
4
84
5
85
4
86
2
87
8
88
4
89
3
90
3
91
4
92
2
93
1
94
5
95
4
96
4
97
1
98
2
99
6
100
5
101
2
102
3
103
5
104
2
105
2
106
3
107
1
109
2
110
4
111
4
112
2
113
2
114
2
118
3
119
1
120
2
121
2
122
3
123
1
124
5
125
2
126
3
127
2
128
1
130
1
131
5
134
1
136
2
137
2
138
1
139
2
140
4
141
1
146
1
147
1
148
3
150
3
152
3
153
1
154
1
156
2
157
1
158
1
159
1
160
3
161
1
162
2
163
1
164
1
165
1
166
1
168
3
169
1
171
1
172
1
173
2
179
2
185
1
186
2
188
1
190
1
194
1
195
3
199
1
205
1
207
2
208
2
212
1
219
1
221
1
222
1
223
1
224
1
225
1
226
1
233
1
241
1
243
2
255
2
261
1
277
1
285
1
291
1
293
2
303
1
305
1
307
2
324
1
326
1
330
1
333
2
335
1
336
1
337
2
341
1
357
1
360
1
366
1
386
1
389
1
411
1
442
3
443
1
444
1
445
4
446
3
447
1
448
1
450
1
453
3
454
1
456
1
458
1
459
1
460
2
461
3
463
1
465
1
467
1
469
2
482
1
496
1
505
1
511
2
515
1
516
1
526
1
529
1
539
2
555
1
581
1
773
1
790
1
804
1
821
1
824
1
831
2
837
2
839
1
847
1
849
1
853
1
855
1
868
1
871
1
880
1
913
1
922
1
923
1
931
1
938
1
960
1
965
1
989
1
995
1
997
1
1013
1
1027
1
1054
1
1096
1
1125
1
1196
1
1353
1
1429
2
1598
1