Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM12576
 | 6 | 33 | 0 | 0 | 0 | 0 | 0 | 0 | - Farnesyl Diphosphate Synthase (FPPS)
- Farnesyl diphosphate synthase
- Farnesyl pyrophosphate synthase
- Geranylgeranyl Diphosphate Synthase (GGPPS)
- Hexokinase
- Putative farnesyl pyrophosphate synthase
- Vacuolar-type proton translocating pyrophosphatase 1
| - Bisphosphonate 1
- CHEMBL923
- JMC515594 Compound 64
- RIS
- Risdronate
- [1-hydroxy-1-phosphono-2-(pyridin-3-yl)ethyl]phosphonic acid
|
BDBM14775
 | 10 | 31 | 0 | 0 | 0 | 0 | 0 | 0 | - Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
- Phosphodiesterase 4
- Phosphodiesterase 4 and 5 (PDE4 and PDE5)
- Phosphodiesterase 4A
- Phosphodiesterase 8
- Phosphodiesterase Type 10 (PDE10A)
- Phosphodiesterase Type 11 (PDE11A)
- Phosphodiesterase Type 2 (PDE2A)
- Phosphodiesterase Type 3 (PDE3B)
- Phosphodiesterase Type 4 (PDE4B)
- Phosphodiesterase Type 4 (PDE4D)
- Phosphodiesterase Type 5 (PDE5A)
- Phosphodiesterase Type 7 (PDE7B)
- Phosphodiesterase Type 9 (PDE9A)
- cAMP-specific 3',5'-cyclic phosphodiesterase 4A
- cAMP-specific 3',5'-cyclic phosphodiesterase 4B
- cAMP-specific 3',5'-cyclic phosphodiesterase 4C
| - 3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
- 3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxy-benzamide
- CHEMBL42126
- Cpodpmb
- Piclamilast
- RPR-73401
|
BDBM15211
 | 15 | 22 | 4 | 0 | 0 | 0 | 0 | 0 | - CAMK2B
- CaM-kinase kinase beta
- Casein kinase I isoform alpha
- Casein kinase II alpha
- Casein kinase II alpha (prime)
- Glycogen synthase kinase-3 beta
- Myosin light chain kinase
- Myosin light chain kinase, smooth muscle
- PKA
- Protein kinase C alpha type
- Protein kinase Pfmrk
- RAC-alpha serine/threonine-protein kinase AKT1
- Rho-associated protein kinase 2
- Rho-associated protein kinase 2 (ROCK II)
- Ribosomal protein S6 kinase (P70S6K)
- Ribosomal protein S6 kinase alpha 5
- Serine/threonine-protein kinase AKT
- Serine/threonine-protein kinase AKT2
- cAMP-Dependent Protein Kinase (PKA)
- cAMP-dependent protein kinase (PKA)
- cGMP-dependent protein kinase
| - CHEMBL104264
- H-89
- H89
- HT-89 (H-89)
- N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
- N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide
|
BDBM164050
 | 41 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 181
- US9062078, 182
- US9062078, 183a
- US9062078, 183b
- US9475819, 182
- US9637496, 183B
- US9695183, 183b
|
BDBM18137
 | 11 | 13 | 5 | 10 | 1 | 1 | 0 | 0 | - 2'-deoxynucleoside 5'-phosphate N-hydrolase 1
- 5'-AMP-activated protein kinase Complex 1
- ADORA3
- Adenosine Receptors A2a (A2a)
- Adenosine receptor A1
- Adenylate kinase 1
- Adenylate kinase 2
- Cholecystokinin
- Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl)
- Fructose-1,6-bisphosphatase 1 (FBPase)
- Glycogen synthase kinase-3 beta
- Human immunodeficiency virus type 1 protease
- Inosine-5'-monophosphate dehydrogenase
- Ketopantoate reductase
- P2Y purinoceptor 1
- Phospholipase C, gamma 1
- Phospholipase C-beta-3
- Proto-oncogene tyrosine-protein kinase Src
- Purinergic receptor P2Y1
- Purinergic receptor P2Y11
- Purinergic receptor P2Y2
- TAK1/TAB1
- tRNA synthetase (GlyRS)
| - AMP
- CHEMBL752
- [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;hydrate
- adenosine 5 -monophosphate
- {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
|
BDBM19992
 | 1 | 12 | 0 | 28 | 0 | 0 | 0 | 0 | - Liver X Receptor alpha (LXR-alpha)
- Liver X Receptor beta (LXR-beta)
- Liver X receptor (LXR alpha AND LXR beta)
- Pregnane X receptor (PXR)
- alpha-Glucosidase (alpha-Glu)
| - 2-[3-[3-[[2-chloro-3-(trifluoromethyl)phenyl]methyl-[2,2-di(phenyl)ethyl]amino]propoxy]phenyl]acetic acid
- 2-{3-[3-({[2-chloro-3-(trifluoromethyl)phenyl]methyl}(2,2-diphenylethyl)amino)propoxy]phenyl}acetic acid
- CHEMBL59030
- GW3965
|
BDBM20608
 | 9 | 27 | 0 | 5 | 0 | 0 | 0 | 0 | - Androgen receptor
- Aromatase (CYP19)
- Baculoviral IAP repeat-containing protein 2/Estrogen receptor
- Estradiol receptor beta (ERβ)
- Estrogen receptor
- Estrogen-Related Receptor, gamma
- Estrogen-related receptor gamma
- Phospholipase D (PLD)
- Phospholipase D (PldA)
- Phospholipase D2 (PLD2)
- Progesterone receptor
- Steroid hormone receptor ERR2
- ubiquitin-conjugating enzyme E2 N
| - 4-Hydroxytamoxifen
- 4-Hydroxytamoxifen (9)
- 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
- AFIMOXIFENE
- CHEMBL489
- [3H]4-OHT
- cid_449459
|
BDBM254160
 | 13 | 28 | 0 | 0 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 3A
- P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
| - US10112937, Example 40
- US10150765, Example 40
- US9464084, 40
|
BDBM26113
 | 3 | 37 | 1 | 0 | 0 | 0 | 0 | 0 | - Alpha-ketoglutarate-dependent dioxygenase FTO
- Egl nine homolog 1
- Histone Lysine Demethylase
- Homo sapiens lysine demethylase 2A (KDM2A)
- Hypoxia-inducible factor 1 (FIH)
- Hypoxia-inducible factor prolyl hydroxylase 1
- Lysine-specific demethylase 3A
- Lysine-specific demethylase 4A (KDM4A)
- Lysine-specific demethylase 4C
- Lysine-specific demethylase 4D
- Lysine-specific demethylase 5A
- Lysine-specific demethylase 5A (KDM5A)
- Lysine-specific demethylase 5B
- Lysine-specific demethylase 5C (KDM5C)
- Lysine-specific demethylase 5D (KDM5D)
- Lysine-specific demethylase 6A (KDM6A)
- Lysine-specific demethylase 6B
- Trypanosoma brucei RNA editing ligase 1
| - 2,4 PDCA
- cid_10365
- pyridine carboxylate, 6a
- pyridine-2,4-dicarboxylic acid
|
BDBM50001023
 | 31 | 3 | 0 | 7 | 0 | 0 | 0 | 0 | - Delta-type opioid receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Nociceptin/mu opioid receptor
- mu/kappa opioid receptor
| - (2R,6R,11R)-3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
- 3-Cyclopropylmethyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
- CHEMBL56585
- Cyclazocine
- US9656961, Example 00126
|
BDBM50004923
 | 22 | 3 | 4 | 12 | 0 | 0 | 0 | 0 | - Adenylate cyclase
- Alpha-2C adrenergic receptor
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- DOPAMINE
- Dopamine D1 and D2 receptor
- Dopamine D1B
- Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a)
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine D5 receptor
- Dopamine receptor
- Dopamine receptors; D1 & D2
- POsterior Segregation family member (pos-1)
- RecName: Full=Zinc finger protein mex-5
- Serotonin (5-HT) receptor
- adrenergic Alpha2
| - (+/-)-SKF-38393
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol (SK&F 38393)
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF 38393)
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride(SKF 38393)
- CHEMBL286080
- CHEMBL505308
- CHEMBL542700
- RS(+/-)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
- SK&F-38393
- SK-38393
- SKF 38393
- SKF-38393
- US9359372, SKF38393
- cid_147514
|
BDBM50022271
 | 13 | 20 | 0 | 8 | 0 | 0 | 0 | 0 | - Aldose reductase (AR)
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Caspase-1
- Caspase-3
- Caspase-4
- Caspase-5
- Caspase-9
- Cyclooxygenase
- Cyclooxygenase-1 (COX-1)
- Cytochrome P450 2J2
- GTP-binding protein (rab7)
- Glyoxalase 1 (GLO1)
- Intestinal fatty acid-binding protein (hIFABP)
- Prostaglandin G/H synthase (cyclooxygenase)
- Ras-related C3 botulinum toxin substrate 1
- Ras-related protein Rab-2A.
- Serum paraoxonase/arylesterase 1
- Solute carrier family 22 member 6
- Solute carrier family 22 member 8
- Solute carrier organic anion transporter family member 1A3
- cell division cycle 42 (GTP binding protein, 25kDa)
- ras protein
| - 2-(3-Benzoylphenyl)propionic acid
- 2-(3-benzoylphenyl)propanoic acid
- 3-Benzoyl-alpha-methylbenzeneacetic acid
- 3-Benzoylhydratropic acid
- CHEMBL571
- Dexketoprofen trometamol
- KETOPROFEN
- L'Acide (benzoyl-3-phenyl)-2-propionique
- Orudis (TN)
- m-Benzoylhydratropic acid
|
BDBM50030474
 | 4 | 13 | 3 | 21 | 0 | 0 | 0 | 0 | - Bile salt export pump
- Bile salt export pump (BSEP)
- CDGSH iron-sulfur domain-containing protein 1
- Free fatty acid receptor 1
- Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha
- PPAR alpha/gamma
- PPAR gamma
- Peroxisome proliferator-activated receptor
- Peroxisome proliferator-activated receptor alpha (PPAR alpha)
- Peroxisome proliferator-activated receptor delta
- Peroxisome proliferator-activated receptor gamma
| - Avandamet
- Avandaryl
- Avandia
- BRL-49653
- CHEBI:50122
- ROSIGLITAZONE
- Rosiglitazone
- US9562012, rosiglitazone
|
BDBM50049240
 | 6 | 10 | 0 | 25 | 0 | 0 | 0 | 0 | - Amine oxidase [flavin-containing] B
- Enoyl-[acyl-carrier-protein] reductase [NADH]
- Free fatty acid receptor 1
- Monoamine Oxidase Type B (MAO-B)
- Peroxisome Proliferator-Activated Receptor gamma/Retinoid X receptor alpha
- Peroxisome proliferator-activated receptor
- Peroxisome proliferator-activated receptor alpha (PPAR alpha)
- Peroxisome proliferator-activated receptor gamma
- Protein-tyrosine phosphatase 1B
| - (+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)methyl)-2,4-thiazolidinedione
- 5-{4-[2-(5-ethylpyridin-2-yl)ethoxy]benzyl}-1,3-thiazolidine-2,4-dione
- CHEMBL595
- PIOGLITAZONE
- PIOGLITAZONE HYDROCHLORIDE
|
BDBM50098311
 | 10 | 12 | 19 | 0 | 0 | 0 | 0 | 0 | - ATPase family AAA domain-containing protein 2
- ATPase family AAA domain-containing protein 2B
- Bromodomain adjacent to zinc finger domain protein 2A
- Bromodomain adjacent to zinc finger domain protein 2B
- Bromodomain and PHD finger-containing protein 3
- Bromodomain testis-specific protein
- Bromodomain-containing protein 1
- Bromodomain-containing protein 2
- Bromodomain-containing protein 3
- Bromodomain-containing protein 4
- Bromodomain-containing protein 7
- Bromodomain-containing protein 9
- Cat eye syndrome critical region protein 2
- Histone acetyltransferase KAT2A
- Histone acetyltransferase PCAF
- Nucleosome-remodeling factor subunit BPTF
- Peregrin
- Protein polybromo-1
- Transcription activator BRG1
- Transcription initiation factor TFIID subunit 1
- Transcription initiation factor TFIID subunit 1-like
- Tyrosine-protein kinase BAZ1B
| |
BDBM50146360
 | 3 | 38 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-3 adrenergic receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine receptors; D2 & D4
- Histamine H1 receptor
| - CHEMBL328573
- Dimethyl-[(2S,3aR)-1-(2,3,3a,8-tetrahydro-1-oxa-12b-aza-dibenzo[e,h]azulen-2-yl)methyl]-amine
|
BDBM50163863
 | 0 | 0 | 29 | 0 | 6 | 6 | 0 | 0 | - Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 12
- Carbonic anhydrase 13 (CA XIII)
- Carbonic anhydrase 2
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Carbonic anhydrases; II & IX
| - 4-(1H-benzimidazol-1-ylacetyl)-2-chlorobenzenesulfonamide (2a)
- CHEMBL3798446
- carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 2
|
BDBM50164447
 | 41 | 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 3A
- ADRB2
- Adrenergic alpha1B
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- CHRM5
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Dopamine D5 receptor
- Dopamine receptor
- Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1)
- Gamma-aminobutyric acid type B receptor subunit 1
- Histamine H1 receptor
- Ionotropic glutamate receptor NMDA 1/2D
- Kappa-type opioid receptor
- Monoamine transporters; serotonin & dopamine
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- OPRD1
- Oxytocin receptor
- Serotonin (5-HT) receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Vasopressin V1b receptor
- Vasopressin V2 receptor (V2)
| - 2-amino-4-sulfobutanoic acid
- CHEMBL191727
- DL-homocysteic acid
|
BDBM50206243
 | 3 | 23 | 0 | 15 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- 5-hydroxytryptamine receptor 3A
- Cytochrome P450 1A
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 3A
- Neuronal acetylcholine receptor
- Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit
- Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
- Neuronal acetylcholine receptor subunit alpha-7
- Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
- Potassium voltage-gated channel subfamily H member 2
- Serotonin 3 (5-HT3) receptor
| |
BDBM50279080
 | 0 | 39 | 2 | 0 | 0 | 0 | 0 | 0 | - Cyclin-dependent kinase 1
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 4
- Epidermal growth factor receptor
- Fibroblast growth factor receptor 1
- Fibroblast growth factor receptor 2
- Fibroblast growth factor receptor 3
- Fibroblast growth factor receptor 4
- Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
- Insulin receptor
- Insulin-like growth factor I receptor
- Mitogen-activated protein kinase kinase kinase 11
- Platelet-derived growth factor receptor
- Platelet-derived growth factor receptor beta
- Proto-oncogene tyrosine-protein kinase Src
- Receptor tyrosine-protein kinase erbB-2
- Serine/threonine-protein kinase PLK1
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase receptor FLT3
- Vascular endothelial growth factor receptor 1
- Vascular endothelial growth factor receptor 2
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
| - (Z)-3-[(4-{Methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino}-phenylamino)-methylene]-2-oxo-2,3-dihydro-1H-indole-6-carboxylicAcid Methyl Ester
- CHEMBL502835
- methyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-2-oxo-2,3-dihydro-1H-indole-6-carboxylate
|
BDBM50336640
 | 19 | 20 | 1 | 1 | 0 | 0 | 0 | 0 | - Adenosine Receptors A2a (A2a)
- Adenosine receptor A1
- Adenosine receptor A2
- Adenosine receptor A3
- Calcium channel
- Calcium channel (Type L)
- Cav1.3/Cav beta3/Cav alpha2delta complex
- Cytochrome P450 3A
- Glutathione reductase (GR)
- Indoleamine 2,3-dioxygenase 1
- Indoleamine 2,3-dioxygenase 2
- P-glycoprotein 1
- Potassium voltage-gated channel subfamily H member 2
- Sodium channel protein type 7 subunit alpha
- Thromboxane-A synthase
- Transient receptor potential cation channel subfamily A member 1
- Voltage-gated L-type calcium channel
- Voltage-gated L-type calcium channel alpha-1C subunit
- Voltage-gated calcium channel
| - (nifedipine) 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
- 2,6-Dimethyl-4-(2-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
- Adalat
- Adalat CC
- Afeditab cr
- BAY-A-1040
- NIFEDIPINE
- Nefidipine
- Procardia
- Procardia XL
- dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
|
BDBM8963
 | 8 | 33 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
- Beta amyloid A4 protein
- Beta-secretase 1
- Butyrylcholinesterase (BChE)
- Butyrylcholinesterase (BuChE)
- Cholinesterase
| - CHEMBL32823
- Homodimeric Tacrine Analog 3b
- N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]-1,2,3,4-tetrahydroacridin-9-amine
- Tacrine Dimer 3b
- Tacrine-Based Inhibitor 2f
- tacrine homobivalent compound 3a
|
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