|
AfroDb Natural Products
|
2013-11-05 |
Collaborations Only |
954
|
|
7
|
745 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Amidohydrolase AH-EFI
|
2011-11-01 |
Collaborations Only |
470
|
|
2
|
20 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Amino acid derivatives (EFI)
|
2011-12-20 |
Collaborations Only |
246
|
|
0
|
20 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
AmpC ligands
|
2012-07-25 |
Not for Sale (Annotated) |
21
|
|
0
|
0 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
AmpC non-binders
|
2012-07-25 |
Not for Sale (Annotated) |
84
|
|
1
|
17 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
BindingDB.org
|
2014-05-13 |
Not for Sale (Annotated) |
474635
|
|
12572
|
9232 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Biocyc via PubChem
|
2014-01-22 |
Not for Sale (Annotated) |
9112
|
|
852
|
627 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Bitter DB
|
2012-11-01 |
Not for Sale (Annotated) |
580
|
|
16
|
40 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Bovine Metabolome
|
2014-04-30 |
Not for Sale (Annotated) |
7838
|
|
1346
|
343 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
CCP W191G binders
|
2011-10-05 |
Not For Sale (Model System) |
43
|
|
0
|
3 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
CCP W191G non-binders
|
2011-10-05 |
Not For Sale (Model System) |
17
|
|
0
|
1 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChEBI
|
2014-04-29 |
Not for Sale (Annotated) |
34568
|
|
2649
|
1187 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChEMBL DrugStore
|
2015-01-03 |
Not for Sale (Annotated) |
8233
|
|
341
|
1397 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChEMBL12
|
2011-12-19 |
Not for Sale (Annotated) |
1076486
|
|
62410
|
92843 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChEMBL12 10uM
|
2011-12-29 |
Not for Sale (Annotated) |
238073
|
|
15604
|
27266 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChEMBL19
|
2014-08-25 |
Not for Sale (Annotated) |
1404752
|
|
35718
|
40635 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
ChemDB
|
2013-04-04 |
Not for Sale (Annotated) |
4140778
|
|
116931
|
691312 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
CMLD-BU
|
2014-03-28 |
Not for Sale (Annotated) |
1629
|
|
50
|
8 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Collaborative Drug Discovery
|
2013-03-18 |
Not for Sale (Annotated) |
1412817
|
|
13938
|
120145 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
CSF Metabolome SMPDB
|
2014-03-21 |
Not for Sale (Annotated) |
428
|
|
24
|
13 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DiPeptides (Hao)
|
2011-12-20 |
Collaborations Only |
5922
|
|
0
|
239 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DrugBank-approved
|
2014-03-19 |
Not for Sale (Annotated) |
1491
|
|
54
|
62 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DrugBank-experimental
|
2014-03-19 |
Not for Sale (Annotated) |
5039
|
|
58
|
227 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DrugBank-nutriceuticals
|
2014-03-19 |
Not for Sale (Annotated) |
82
|
|
4
|
4 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DrugBank-Street Drugs
|
2014-03-19 |
Not for Sale (Annotated) |
173
|
|
0
|
35 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
DrugBank-withdrawn
|
2014-03-19 |
Not for Sale (Annotated) |
69
|
|
3
|
10 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
E. coli Metabolome Database
|
2013-07-19 |
Not for Sale (Annotated) |
1594
|
|
315
|
121 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Enolase EN-EFI
|
2011-10-25 |
Collaborations Only |
4358
|
|
0
|
6 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Enolase via KEGG (EFI)
|
2011-12-21 |
Collaborations Only |
8973
|
|
34
|
409 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
FDA-approved drugs (via DSSTOX)
|
2012-07-25 |
Not for Sale (Annotated) |
1217
|
|
163
|
507 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Glutathione Transferrase GST-EFI
|
2011-11-22 |
Collaborations Only |
39
|
|
3
|
5 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Haloacid dehalogenase HAD-EFI
|
2011-10-25 |
Collaborations Only |
108
|
|
7
|
12 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Herbal Ingredients In-Vivo Metabolism
|
2013-08-12 |
Not for Sale (Annotated) |
1270
|
|
61
|
27 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Herbal Ingredients Targets
|
2013-08-12 |
Not for Sale (Annotated) |
531
|
|
23
|
64 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Drug
|
2014-03-11 |
Not for Sale (Annotated) |
2462
|
|
94
|
155 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Drug Metabolites
|
2014-03-11 |
Not for Sale (Annotated) |
947
|
|
29
|
199 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Endogenous
|
2014-03-11 |
Not for Sale (Annotated) |
29332
|
|
11891
|
1068 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Food
|
2014-03-11 |
Not for Sale (Annotated) |
32518
|
|
12078
|
1148 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Microbe
|
2014-03-11 |
Not for Sale (Annotated) |
171
|
|
11
|
7 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Plant
|
2014-03-11 |
Not for Sale (Annotated) |
149
|
|
8
|
4 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
HMDB Toxin
|
2014-03-11 |
Not for Sale (Annotated) |
164
|
|
20
|
4 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Human Metabolome Database
|
2014-03-11 |
Not for Sale (Annotated) |
41514
|
|
15642
|
366 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
IBM Patent Data
|
2012-12-24 |
Not for Sale (Annotated) |
499997
|
|
6659
|
10593 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Isoprenoid synthase IS-EFI
|
2011-11-30 |
Collaborations Only |
13
|
|
1
|
11 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
IUPHAR Database
|
2012-10-11 |
Not for Sale (Annotated) |
3491
|
|
250
|
379 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
KEGG via PubChem
|
2014-08-12 |
Not for Sale (Annotated) |
23967
|
|
1415
|
1703 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
KEGG-C via PubChem
|
2014-01-23 |
Not for Sale (Annotated) |
16343
|
|
1043
|
1204 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
KEGG-D via PubChem
|
2014-01-24 |
Not for Sale (Annotated) |
7624
|
|
372
|
615 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
L99A binders
|
2011-10-05 |
Not For Sale (Model System) |
74
|
|
43
|
2 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
L99A non-binders
|
2011-10-05 |
Not For Sale (Model System) |
68
|
|
0
|
2 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
L99A/M102Q binders
|
2011-10-05 |
Not For Sale (Model System) |
94
|
|
0
|
3 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
L99A/M102Q non-binders
|
2011-10-05 |
Not For Sale (Model System) |
24
|
|
0
|
0 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Leadscope via PubChem
|
2014-01-29 |
Not for Sale (Annotated) |
150331
|
|
2605
|
8149 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Lipidomics
|
2015-02-12 |
Not for Sale (Annotated) |
37328
|
|
20893
|
1329 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
MicroSource Spectrum
|
2012-05-09 |
Not for Sale (Annotated) |
2320
|
|
82
|
85 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
NIH Clinical Collection
|
2013-01-15 |
Not for Sale (Annotated) |
446
|
|
23
|
16 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
NIH Clinical Collection via PubChem
|
2014-01-20 |
Not for Sale (Annotated) |
770
|
|
35
|
28 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
NPACT Database
|
2013-09-17 |
Not for Sale (Annotated) |
1574
|
|
93
|
36 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
NPC (NCGC Pharma)
|
2012-03-13 |
Not for Sale (Annotated) |
2994
|
|
133
|
229 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Nubbe Natural Products
|
2013-01-28 |
Not for Sale (Annotated) |
643
|
|
19
|
22 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
PDSP via PubChem
|
2014-01-21 |
Not for Sale (Annotated) |
2871
|
|
75
|
717 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Phosphate sugars (EFI)
|
2011-12-20 |
Collaborations Only |
199
|
|
0
|
9 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Protein Databank
|
2014-10-03 |
Not for Sale (Annotated) |
18963
|
|
508
|
653 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Prous via PubChem
|
2014-01-21 |
Not for Sale (Annotated) |
5656
|
|
239
|
530 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
PubChem
|
2011-05-17 |
Not for Sale (Annotated) |
31453252
|
|
3193633
|
5367313 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC Asinex (building blocks)
|
2012-04-04 |
Not for Sale (Annotated) |
263
|
|
0
|
8 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC CDiv Carboxamide
|
2012-02-20 |
Not for Sale (Annotated) |
4417
|
|
205
|
132 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC CDiv Diverse
|
2012-02-21 |
Not for Sale (Annotated) |
50000
|
|
33
|
1334 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC CDiv Kinase
|
2012-02-20 |
Not for Sale (Annotated) |
10000
|
|
2
|
531 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC ChBr Diverse
|
2012-02-20 |
Not for Sale (Annotated) |
23865
|
|
124
|
2541 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC ChBr Premium
|
2012-02-20 |
Not for Sale (Annotated) |
30000
|
|
3
|
3647 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC Iconix
|
2012-02-20 |
Not for Sale (Annotated) |
909
|
|
45
|
25 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC Life and Maybridge (building blocks)
|
2012-02-20 |
Not for Sale (Annotated) |
2451
|
|
5
|
9 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC Life Kinase
|
2012-04-05 |
Not for Sale (Annotated) |
13010
|
|
247
|
311 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC MicroSource
|
2012-02-20 |
Not for Sale (Annotated) |
2160
|
|
|
277 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMDC Pharmakon
|
2012-04-06 |
Not for Sale (Annotated) |
1600
|
|
192
|
57 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SMPDB Small Molecule Pathway Database
|
2014-08-08 |
Not for Sale (Annotated) |
1512
|
|
129
|
137 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
StreptomeDB
|
2013-01-26 |
Not for Sale (Annotated) |
2444
|
|
511
|
163 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
SureChEMBL
|
2015-01-04 |
Not for Sale (Annotated) |
15241444
|
|
2869545
|
136287 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Sweetlead
|
2014-01-29 |
Not for Sale (Annotated) |
9127
|
|
2763
|
248 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
TCM Database @ Taiwan
|
2014-01-31 |
Collaborations Only |
57423
|
|
13698
|
675 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
The Broad via PubChem
|
2014-01-29 |
Not for Sale (Annotated) |
140695
|
|
331
|
1602 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
TTD via PubChem
|
2012-04-19 |
Not for Sale (Annotated) |
14771
|
|
1873
|
1439 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
UEFS Natural Products
|
2011-11-29 |
Collaborations Only |
503
|
|
7
|
382 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
UMBBD
|
2011-12-05 |
Not for Sale (Annotated) |
1319
|
|
172
|
79 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Urine Metabolome
|
2014-04-29 |
Not for Sale (Annotated) |
41498
|
|
21315
|
1839 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Yeast Metabolome
|
2014-03-28 |
Not for Sale (Annotated) |
2027
|
|
95
|
84 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Yu Chen 1
|
2013-09-05 |
Not for Sale (Annotated) |
38023
|
|
22
|
515 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Yu Chen 2
|
2013-09-05 |
Not for Sale (Annotated) |
57084
|
|
1
|
1462 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|
|
Yu Chen 3
|
2013-09-05 |
Not for Sale (Annotated) |
57024
|
|
0
|
600 |
Overview
Basic
Targets
Focus
|
SMILES
SDF
MOL2
Flexibase
|