Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM22984
 | 5 | 41 | 1 | 0 | 0 | 0 | 0 | 0 | - Anti-estrogen binding site (AEBS)
- Aurora kinase A
- Bacteriophage T4 DNA Ligase
- Bile salt export pump (BSEP)
- CAM-RNase A
- CDGSH iron-sulfur domain-containing protein 1
- Carnitine palmitoyltransferase 1A
- Carnitine palmitoyltransferase 2
- Collagenase
- DNA Ligase (MtuLigA)
- DNA primase (Ba DnaG)
- DNA primase (Mtb DnaG)
- DNA topoisomerase
- DNA topoisomerase 1
- DNA topoisomerase I
- DNA topoisomerase I (Topo I)
- DNA topoisomerase II
- Deoxyribonuclease-1
- Deoxyribonuclease-2-alpha
- Human immunodeficiency virus type 1 integrase
- Multidrug resistance protein 1/Multidrug resistance associated protein 1
- Purinergic receptor P2Y12
- Receptor tyrosine-protein kinase erbB-2
- Solute carrier organic anion transporter family member 1B1 (OATP1B1)
- Solute carrier organic anion transporter family member 1B3 (OATP1B3)
- Solute carrier organic anion transporter family member 2B1
- Telomerase reverse transcriptase
- Topoisomerase II alpha (HuTopoIIα)
- Type-2 restriction enzyme BamHI
- Type-2 restriction enzyme EcoRI
- Type-2 restriction enzyme HindIII
- Type-2 restriction enzyme PstI
- Type-2 restriction enzyme ScaI
| - (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
- Adriamycin
- Adriblastina
- CHEMBL53463
- Doxil
- Doxorubicin
|
BDBM24567
 | 5 | 40 | 0 | 2 | 0 | 0 | 0 | 0 | - Anandamide amidohydrolase
- Cannabinoid receptor 1
- Cannabinoid receptor 2
- Fatty Acid Synthase
- Fatty acid synthase
- Fatty-acid amide hydrolase 1
- LDL-associated phospholipase A2
- Monoacylglycerol lipase ABHD12
- Monoacylglycerol lipase ABHD6
- Neutral cholesterol ester hydrolase 1
- Pancreatic lipase
- Pancreatic triacylglycerol lipase
- Pregnane X receptor (PXR)
- Proteasome Macropain subunit
- Proteasome component C5
- Proteasome subunit beta type-1/beta type-5
- Protein BAT5
- Sn1-specific diacylglycerol lipase alpha
- Sn1-specific diacylglycerol lipase beta
| - (2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl (2S)-2-formamido-4-methylpentanoate
- CHEMBL175247
- Orlistat
- THLP
- Tetrahydrolipstatin
- US9328123, Orlistat
- Xenical
|
BDBM26985
 | 44 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | - α-Carbonic anhydrase (αCA)
- β-Carbonic anhydrase (βCA)
- Alpha-carbonic anhydrase
- Astrosclerin-3
- Beta-carbonic anhydrase
- Carbonic Anhydrase VA
- Carbonic Anhydrase XV
- Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Carbonic anhydrase 4
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Gamma-carbonic anhydrase
- Laccase
| - 2-triaza-1,2-diyne
- CHEMBL79455
- CHEMBL89295
- N3(-1)
- azide
|
BDBM34233
 | 2 | 41 | 2 | 2 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Arrestin, beta 1
- Bile salt export pump
- Butyrylcholinesterase (BuChE)
- Caspase-1
- Chain A, Crystal Structure Of A Pantothenate Synthetase, Apo Enzyme In C2 Space Group
- Cyclooxygenase
- Epoxide hydratase
- Gag-Pol polyprotein
- Gamma-butyrobetaine dioxygenase
- Hexokinase type I
- MPI protein
- Macrophage migration inhibitory factor (MIF)
- Microtubule-associated protein 2
- MurA (H. influenzae)
- NS3
- RNA polymerase beta subunit (EC 2.7.7.6)
- TPA: Essential component of the Translocase of the Inner Mitochondrial membrane (TIM23 complex)
- TPA: Essential protein of the mitochondrial intermembrane space
- Thioredoxin reductase (TrxR)
- UDP-glucose 4-epimerase
- dTDP-4-dehydrorhamnose 3,5-epimerase RmlC
- diphosphomevalonate decarboxylase
- eukaryotic translation initiation factor 4 gamma, 1 isoform 4
- hexokinase
- large T antigen
- mevalonate kinase
- neutrophil cytosolic factor 1
- perilipin-1
- perilipin-5
- phosphatase, orphan 1
- phosphomannomutase 2
- putative hexokinase HKDC1
| - 2-Phenyl-benzo[d]isoselenazol-3-one
- 2-Phenyl-benzo[d]isoselenazol-3-one(Ebselen)
- 2-phenyl-1,2-benzisoselazol-3(2H)-one
- 2-phenyl-1,2-benzoselenazol-3-one
- 2-phenylbenzo[d][1,2]selenazol-3(2H)-one
- CHEMBL51085
- EBSELEN
- Ebselen (C5)
- MLS000028488
- SMR000058445
- cid_3194
|
BDBM50002370
 | 33 | 6 | 0 | 8 | 0 | 0 | 0 | 0 | - Excitatory amino acid transporter 1
- Excitatory amino acid transporter 2
- Excitatory amino acid transporter 3
- GRIA1
- GRIA2
- GRIA3
- GRIK1
- GRIK4
- Glutamate kainate
- Glutamate receptor 1 (GluA1)
- Glutamate receptor ionotropic AMPA
- Glutamate receptor ionotropic, AMPA
- Glutamate receptor ionotropic, AMPA 2
- Glutamate receptor ionotropic, AMPA 4
- Glutamate receptor ionotropic, kainate
- Glutamate receptor ionotropic, kainate 2
- Ionotropic glutamate receptor NMDA 1/2D
- Ionotropic glutamate receptor kainate 2/5
- Metabotropic glutamate receptor 1
- Metabotropic glutamate receptor 5
- NMDA receptor subunit 2C (GluN2C)
| - (R,S)-alpha-amino-3-hydroxy-5-methyl-4-isooxazole-propionic acid
- (RS)-2-amino-3-(3-hydroxy-5-methylisoxazol-4-yl)-propionicacid
- 2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid
- 2-Amino-3-(3-hydroxy-5-methyl-isoxazol-4-yl)-propionic acid(DL-AMPA)
- 2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)-propionic acid
- 2-amino-3-(5-methyl-3-oxo-2,3-dihydroisoxazol-4-yl)propanoic acid
- 2-ammonio-3-(3-hydroxy-5-methylisoxazol-4-yl)propanoate
- AMPA
- CHEMBL13378
|
BDBM50086170
 | 46 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | - Adenosine A2b receptor
- Adenosine Receptors A2a (A2a)
- Adenosine receptor
- Adenosine receptor A1
- Adenosine receptor A2
- Adenosine receptor A2b
- Adenosine receptor A3
| - (4-Cyano-phenyl)-carbamic acid 4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenyl ester
- CHEMBL1628266
- CHEMBL273807
- N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide
- N-(4-Cyano-phenyl)-2-[4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-phenoxy]-acetamide(MRS-1754)
- N-(4-cyanophenyl)-2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)phenoxy)acetamide
|
BDBM50231578
 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Neuropeptide Y receptor type 1
- Neuropeptide Y receptor type 2
| |
BDBM50307506
 | 0 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Aurora kinase A
- Aurora kinase B
- CDK2/CycE
- CDK2/Cyclin A/Cyclin A1
- Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 4 (CDK4)
- Cyclin-Dependent Kinase 5 (CDK5)
- Epidermal growth factor receptor
- Eukaryotic elongation factor 2 kinase
- Fibroblast growth factor receptor 1
- Focal adhesion kinase 1
- Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
- Glycogen synthase kinase-3 beta
- Hepatocyte growth factor receptor
- High affinity nerve growth factor receptor
- Inhibitor of NF-kappa-B kinase (IKK)
- Insulin receptor
- Insulin-like growth factor I receptor
- MAP kinase-activated protein kinase 2
- MAP kinase-interacting serine/threonine-protein kinase 2
- Mast/stem cell growth factor receptor Kit
- Mitogen-activated protein kinase 1
- Mitotic checkpoint serine/threonine-protein kinase BUB1
- Pancreatic endoplasmic reticulum kinase (PERK)
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)
- RAC-alpha serine/threonine-protein kinase AKT1
- Serine/threonine-protein kinase Chk1
- Serine/threonine-protein kinase MST4
- Serine/threonine-protein kinase NEK6
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase pim-2
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase ZAP-70
- Tyrosine-protein kinase receptor FLT3
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
| - 1-Methyl-8-{[1-(phenylcarbonyl)piperidin-4-yl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- CHEMBL599428
|
BDBM50307507
 | 0 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Aurora kinase A
- Aurora kinase B
- CDK2/CycE
- CDK2/Cyclin A/Cyclin A1
- Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 4 (CDK4)
- Cyclin-Dependent Kinase 5 (CDK5)
- Epidermal growth factor receptor
- Eukaryotic elongation factor 2 kinase
- Fibroblast growth factor receptor 1
- Focal adhesion kinase 1
- Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
- Glycogen synthase kinase-3 beta
- Hepatocyte growth factor receptor
- High affinity nerve growth factor receptor
- Inhibitor of NF-kappa-B kinase (IKK)
- Insulin receptor
- Insulin-like growth factor I receptor
- MAP kinase-activated protein kinase 2
- MAP kinase-interacting serine/threonine-protein kinase 2
- Mast/stem cell growth factor receptor Kit
- Mitogen-activated protein kinase 1
- Mitotic checkpoint serine/threonine-protein kinase BUB1
- Pancreatic endoplasmic reticulum kinase (PERK)
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)
- RAC-alpha serine/threonine-protein kinase AKT1
- Serine/threonine-protein kinase Chk1
- Serine/threonine-protein kinase MST4
- Serine/threonine-protein kinase NEK6
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase pim-2
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase ZAP-70
- Tyrosine-protein kinase receptor FLT3
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
| - CHEMBL597754
- N-1-Dimethyl-8-{[1-(methylsulfonyl)piperidin-4-yl]amino}-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
|
BDBM50336843
 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-Hydroxytryptamine receptor 6 (5-HT6)
- 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 3A
- Adrenergic alpha1B
- Alpha-1A adrenergic receptor
- Alpha-1D adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Beta-3 adrenergic receptor
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Delta-type opioid receptor
- Dopamine D5 receptor
- Dopamine receptors; D2 & D4
- GRM8
- Histamine H1 receptor
- Histamine H2 Receptor
- Histamine H4 receptor
- Histamine receptor (H3)
- Kappa-type opioid receptor
- Metabotropic glutamate receptor
- Metabotropic glutamate receptor 1
- Metabotropic glutamate receptor 2
- Metabotropic glutamate receptor 4 (mGluR4)
- Metabotropic glutamate receptor 6
- Monoamine transporters; serotonin & dopamine
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M1/M5 chimeric protein
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Serotonin (5-HT) receptor
- Serotonin receptor (2b and 2c)
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
| - 3-((2-Fluorothiazol-4-yl)ethynyl)-5-fluorobenzonitrile
- CHEMBL1672288
|
BDBM50365463
 | 6 | 23 | 18 | 0 | 0 | 0 | 0 | 0 | - ATPase family AAA domain-containing protein 2
- Bromodomain-containing protein 2
- Bromodomain-containing protein 3
- Bromodomain-containing protein 4
- CREB-binding protein
| |
BDBM50429899
 | 1 | 1 | 45 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase III
- Carbonic Anhydrase VA
- Carbonic Anhydrase VB
- Carbonic Anhydrase XIV
- Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 12
- Carbonic anhydrase 13 (CA XIII)
- Carbonic anhydrase 2
- Carbonic anhydrase 4
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Carbonic anhydrases; II & IX
| |
BDBM69602
 | 35 | 2 | 8 | 2 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A (5-HT1A)
- Adrenergic alpha1B
- Adrenergic receptor alpha
- Adrenergic receptor alpha-2
- Alpha adrenergic receptor 1A and 1B
- Alpha-1A adrenergic receptor
- Alpha-1D adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Cerebral cortex alpha adrenergic receptor
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine receptor
- Glycogen synthase kinase-3 beta
- Hsf1 protein
- Serotonin (5-HT) receptor
| - 2,3-dihydro-1,4-benzodioxin-3-ylmethyl-[2-(2,6-dimethoxyphenoxy)ethyl]amine;hydrochloride
- CHEMBL25554
- MLS000859914
- N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(2,6-dimethoxyphenoxy)ethanamine;hydrochloride
- SMR000326775
- WB-4101
- WB-4101 hydrochloride
- cid_11957505
|
BDBM82456
 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - SSTR2
- SSTR3
- SSTR4
- SSTR5
- Somatostatin receptor type 1
- Somatostatin receptor type 2
- Somatostatin receptor type 3
- Somatostatin receptor type 4
- Somatostatin receptor type 5
| |
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