ALL Compound Sets
AdooQ Bioactive Compound Library
4742
Axon Medchem Screening Library
1599
Bioprocess diversity set
214
Bromodomains chemical toolbox
25
CDK inhibitor database (CDKiDB)
100
Cayman Chemical Bioactives
11710
CeMM library of unique drugs (CLOUD)
273
ChEMBL Approved Drugs
2207
Chemical Probes.org
189
Clinical kinase drugs
242
Concise Guide to Pharmacology 2017/18
2319
Concise Guide to Pharmacology 2019/20
2467
Drug Repurposing Hub
5612
DrugBank
10263
DrugCentral
3906
DrugMatrix
7303
Enamine BioReference Compounds
2066
GSK Published Kinase Inhibitor Set
360
Gray Laboratory Probes
53
Guide to Pharmacology
7202
Informer Set
479
Ki Database
3918
Kinase Chemogenomic Set
187
Kinase Chemogenomic Set (08/2017, in progress)
293
Kinase Inhibitors (best-in-class)
96
LINCS compound set
529
LOPAC library
1231
LSP-MoA library (Laboratory of Systems Pharmacology)
1877
LSP-OptimalKinase library (Laboratory of Systems Pharmacology)
293
MLP Probes
374
MLSMR Probes +
1114
MPI-CBG compound set
0
Malaria Box
400
MedChem Express Bioactive Compound Library
10449
NIH Approved Oncology Drugs VI
118
NIH Approved Oncology Drugs VII
126
NIH Approved Oncology Drugs VIII
130
NIH Clinical Collections (NCC)
690
NIH Mechanistic Set III
805
NPC Screening Collection
3229
NURSA ligand set
286
Nature Chemical Biology Probes
58
Obsolete Compounds
232
Open Science Probes
58
Open Source Malaria
807
Other bioactive compounds
4386
PKIDB
183
Pandemic Response Box
399
Prestwick Chemical Library
1262
Probe Miner (suitable probes)
2641
Protein methyltransferases chemical toolbox
19
SGC Probes
71
Selleckchem Bioactive Compound Library
6344
Selleckchem Bioactive Compound Library (Provided by Pfizer)
5305
TargetMol Bioactive Compound Library
5111
The Pathogen Box
399
The Spectrum Collection
2473
Tocris Bioactive Compound Library
2852
Tocriscreen Plus
1275
Tocriscreen Total
1089
Tool Compound Set
514
Welcome Trust Cancer Drugs
238
ZINC Tool Compounds
1255
opnMe Portal
42
You have to be registered and logged in to use custom sets. You can log/register here.
Aromatic Ring Count
Hydrogen Bond Acceptors
Hydrogen Bond Donors
Molecular Weight
Ring Count
Rotatable Bonds
TPSA
cLogP
PAINS Family A
703
PAINS Family B
204
PAINS Family C
144
Aggregators
458
Obsolete
238
LOADING...