Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM17636
 | 3 | 41 | 2 | 8 | 0 | 0 | 0 | 0 | - 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
- Acid-sensing ion channel 5
- Aldo-keto reductase family 1 member C1
- Aldo-keto reductase family 1 member C2
- Aldo-keto reductase family 1 member C4 (AK1C4)
- Aldo-keto reductase family member 1B10 (AKR1B10)
- Aldo-keto-reductase family 1 member C3
- Aldose reductase (AR)
- Androgen Receptor
- Cyclooxygenase
- Cyclooxygenase-1 (COX-1)
- Cytochrome c oxidase subunit 2
- Intestinal fatty acid-binding protein (hIFABP)
- Myeloperoxidase (MPO)
- Potassium channel subfamily K member 18
- Prostaglandin G/H synthase (cyclooxygenase)
- Transcription factor SOX-18 (SOX-18)
- Transcriptional enhancer factor TEF-3
- Transient receptor potential cation channel subfamily A member 1
- Transthyretin
- Twik-RElated Potassium (K+) channel 1 (TREK1)
| - 2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid
- Arlef
- CHEMBL23588
- Flufenamic acid
- Nichisedan
- US9271961, Flufenamic Acid
|
BDBM22541
 | 50 | 2 | 1 | 1 | 0 | 0 | 0 | 0 | - Alpha-2A adrenergic receptor
- Alpha-2C adrenergic receptor
- HRH3
- Histamine H1 receptor
- Histamine H2 Receptor
- Histamine H3 receptor
- Histamine H4 receptor
- Serotonin (5-HT) receptor
| - CLOBENPROPIT
- Clobenpropit
- N''-[(4-chlorophenyl)methyl]{[3-(1H-imidazol-5-yl)propyl]sulfanyl}methanimidamide
- VUF 9153
- VUF-9153
- VUF9153
|
BDBM50007518
 | 47 | 5 | 2 | 0 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- Alpha-1A adrenergic receptor
- Beta-2 adrenergic receptor
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- DRD2
- Dopamine receptor
- Histamine H1 receptor
- Muscarinic acetylcholine receptor M2
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- adrenergic Alpha2
| - (S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)methyl)-6-hydroxy-2-methoxybenzamide
- 3,5-Dichloro-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide
- 3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
- 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
- 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide (etichlopride)
- 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride)
- 3-chloro-5-ethyl-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-6-hydroxy-2-methoxybenzamide
- CHEMBL8946
- ETICLOPRIDE
- ETICLOPRIDE,S(-)
- Eticlopride;3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide
|
BDBM50020192
 | 51 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2B
- ADRA2C
- Adrenergic receptor alpha-2
- Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- D(2) dopamine receptor
- HTR1A
- Nuclear receptor subfamily 1 group I member 2
- Serotonin 1B/1D receptor
- Serotonin 2 (5-HT2) receptor
- Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
- adrenergic Alpha2
| - 8-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
- CHEMBL300555
- Spiroxatrine
|
BDBM50021954
 | 3 | 51 | 0 | 0 | 0 | 0 | 0 | 0 | - ADC-14 protein
- ADC-16 protein
- ADC-18 protein
- Bacterial beta-lactamase TEM
- Beta-lactamase
- Beta-lactamase (SHV-1)
- Beta-lactamase (TEM-1)
- Beta-lactamase 1
- Beta-lactamase ACC-4
- Beta-lactamase AmpC
- Beta-lactamase BRO-1
- Beta-lactamase GES-13
- Beta-lactamase SCO-1
- Beta-lactamase SHV-11
- Beta-lactamase type II
- Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Carbapenem-hydrolizing beta-lactamase SFC-1
- Class A carbapenemase KPC-2
- Class D β-lactamase (OXA-1)
- Class D beta-lactamase
- Extended-spectrum beta-lactamase PER-6
- Multidrug resistance-associated protein 4
- SHV-1 beta-lactamase
| - (2S,5R)-3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (S)-3,3-Dimethyl-7-(R)-oxo-4,4-dioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- 3,3-Dimethyl-4,4,7-trioxo-4lambda*6*-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid (Sulbactam)
- CHEMBL403
- CP-45,899
- SULBACTAM
- UNASYN
- US9120808, Sulbactam sodium salt
|
BDBM50043280
 | 7 | 30 | 0 | 17 | 0 | 0 | 0 | 0 | - AGTR1
- Angiotensin II AT1B
- Angiotensin II receptor
- Angiotensin II receptor (AT-1) type-1
- Angiotensin-converting enzyme
- Bile salt export pump
- Bile salt export pump (BSEP)
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 2J2
- Cytochrome P450 3A
- Glycine receptor subunit alpha-1
- Multidrug and toxin extrusion protein 1
- Multidrug resistance-associated protein 4
- PPAR alpha/gamma
- Peroxisome proliferator-activated receptor
- Peroxisome proliferator-activated receptor alpha
- Peroxisome proliferator-activated receptor alpha (PPAR alpha)
- Peroxisome proliferator-activated receptor delta
- Peroxisome proliferator-activated receptor gamma
- Solute carrier organic anion transporter family member 1B1 (OATP1B1)
- Solute carrier organic anion transporter family member 1B3 (OATP1B3)
| - 4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid
- 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid
- 4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid
- 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid
- 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid
- BIBR 277
- CHEMBL1017
- TELMISARTAN
|
BDBM50045333
 | 0 | 49 | 4 | 1 | 0 | 0 | 0 | 0 | - BRAF/CRAF
- Casein kinase I isoform delta
- Casein kinase I isoform epsilon
- Citron Rho-interacting kinase
- MAP kinase p38
- Mitogen-activated protein kinase 10
- Mitogen-activated protein kinase 11
- Mitogen-activated protein kinase 14
- Mitogen-activated protein kinase 9
- Myotonin-protein kinase
- P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- Serine/threonine protein kinase NLK
- Serine/threonine-protein kinase 36
- Serine/threonine-protein kinase GAK
- Serine/threonine-protein kinase RIPK2
- Streptavidin
- TRAF2- and NCK-interacting kinase
- Tyrosinase
- p38 MAP kinase alpha/beta
| |
BDBM50179360
 | 4 | 45 | 3 | 2 | 0 | 0 | 0 | 0 | - 10 kDa chaperonin
- 60 kDa chaperonin
- Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Chromobox protein homolog 7
- Dengue virus type 2 NS3 protein
- Ectonucleoside triphosphate diphosphohydrolase 1
- Ectonucleoside triphosphate diphosphohydrolase 2
- Ectonucleoside triphosphate diphosphohydrolase 3
- Ectonucleoside triphosphate diphosphohydrolase 8
- Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
- Ectonucleotide pyrophosphatase/phosphodiesterase family member 3
- Genome polyprotein
- HSP60/HSP10
- Heparanase
- Multidrug resistance-associated protein 4
- NAD-dependent deacetylase sirtuin 1
- NAD-dependent deacetylase sirtuin 2
- NAD-dependent deacetylase sirtuin 3
- P2X purinoceptor 1
- Protein-tyrosine phosphatase 1B
- Putative silent information regulator 2
- Subtilisin/kexin type 9
- Thiosulfate sulfurtransferase
- Tyrosyl-DNA phosphodiesterase 1
- Tyrosyl-DNA phosphodiesterase 2
| |
BDBM50233538
 | 5 | 46 | 1 | 2 | 0 | 0 | 0 | 0 | - 11-beta-Hydroxysteroid Dehydrogenase 1 (11-beta-HSD1)
- 11-beta-hydroxysteroid dehydrogenase
- 11-beta-hydroxysteroid dehydrogenase 1
- 11-beta-hydroxysteroid dehydrogenase 2
- 15-Lipoxygenase-2 (15-LOX-2)
- 5-lipoxygenase/FLAP
- Acetylcholinesterase
- Acyl-CoA: cholesterol acyltransferase (ACAT)
- Aldo-keto reductase family member 1B10 (AKR1B10)
- Aldose reductase (AR)
- Beta-glucuronidase
- Beta-glucuronidase (EcGUS)
- Butyrylcholinesterase (BuChE)
- Carboxylesterase 2
- Hematopoietic protein-tyrosine phosphatase (HEPTP)
- Hypoxia-inducible factor prolyl hydroxylase
- Lactoylglutathione lyase
- Pancreatic alpha-amylase
- Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
- Prostaglandin E synthase/G/H synthase 2
- Protein kinase C, eta
- Protein-tyrosine phosphatase 1B
- Protein-tyrosine phosphatase 1C
- Solute carrier organic anion transporter family member 1B1 (OATP1B1)
- Solute carrier organic anion transporter family member 1B3 (OATP1B3)
- Tyrosine-protein phosphatase non-receptor type 11
- Tyrosine-protein phosphatase non-receptor type 2
| - 18beta-glycyrrhetic acid
- 3beta-hydroxy-11-oxoolean-12-en-30-oic acid
- CHEMBL230006
- glycyrrhetinic acid
|
BDBM50336799
 | 7 | 33 | 0 | 14 | 0 | 0 | 0 | 0 | - 6-phospho-1-fructokinase
- DNA primase (Ba DnaG)
- DNA-dependent protein kinase
- Dual-specificity phosphatase 5 phophatase domain (DUSP5 PD)
- Ectonucleoside triphosphate diphosphohydrolase 1
- Ectonucleoside triphosphate diphosphohydrolase 2
- Ectonucleoside triphosphate diphosphohydrolase 8
- Human immunodeficiency virus type 1 reverse transcriptase
- NAD-Dependent Deacetylase Sirtuin-1
- NAD-dependent deacetylase HST2
- NAD-dependent deacetylase sirtuin 2
- NAD-dependent protein deacetylase sirtuin-5 (SIRT5)
- Nuclear receptor subfamily 1 group I member 2
- Nucleoside triphosphate diphosphohydrolase 3
- P2X purinoceptor 1
- P2X purinoceptor 3
- P2X purinoceptor 4
- P2X purinoceptor 5
- P2X purinoceptor 6
- P2X purinoceptor 7
- P2Y purinoceptor 1
- Protein kinase C (PKC)
- Protein-arginine N-methyltransferase 1
- Protein-tyrosine phosphatase 1B
- Purinergic receptor P2Y11
- Purinergic receptor P2Y12
- Purinergic receptor P2Y2
- Purinergic, P2X2
- Pyrimidinergic receptor P2Y4
- Pyrimidinergic receptor P2Y6
- Reverse transcriptase
- RmtA
| - 5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino)]tris[1,3-benzenesulfonate analogue
- 8,8'-(Carbonylbis(imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonylimino))bisnaphthalene-1,3,5-trisulphonic acid
- 8,8'-[CARBONYLBIS[IMINO-3,1-PHENYLENECARBONYLIMINO(4-METHYL-3,1-PHENYLENE)CARBONYLIMINO]]BIS-1,3,5-NAPHTHALENETRISULFONIC ACID
- 8,8'-[Carbonylbis[imino-3,1-phenylenecarbonylimino(4-methyl-3,1-phenylene)carbonyl-imino]]bis-1,3,5-naphthalenetrisulfonic acid(suramin)
- 8-[(4-methyl-3-{[3-({[3-({2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl}carbamoyl)phenyl]carbamoyl}amino)benzene]amido}benzene)amido]naphthalene-1,3,5-trisulfonic acid
- CHEMBL265502
- Germanin
- Suramin hexasodium
- US8835659, Suramin
- Urea derivative
- suramin
|
BDBM78576
 | 48 | 2 | 0 | 4 | 0 | 0 | 0 | 0 | - 3C-like proteinase
- 3C-like proteinase (3CL-PRO)
- 5-HT1
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 6
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-2 adrenergic receptor
- Bile salt export pump
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(4) dopamine receptor
- DRD1
- Dopamine receptor
- HTR6
- Histamine H1 receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Muscarinic acetylcholine receptor M5
- Nuclear receptor subfamily 1 group I member 2
- Serotonin (5-HT) receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- adrenergic Alpha2
- ubiquitin-conjugating enzyme E2 N
| - CIS-THIOTHIXENE
- MLS000028463
- SMR000058396
- THIOTHIXENE
- cid_941651
- med.21724, Compound Thiothixene
|
BDBM81483
 | 54 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 7 (5HT7)
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- CCKBR
- Calcium channel
- Cholecystokinin B
- Cholinergic, muscarinic
- Cysteinyl leukotriene receptor 1
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- DRD1
- Delta-type opioid receptor
- Gamma-aminobutyric acid receptor subunit alpha-1
- HTR2C
- Histamine H1 receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M2
- NT
- Norepinephrine transporter
- Prostanoid TP receptor
- Serotonin (5-HT) receptor
- Serotonin 1B/1D receptor
- Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent dopamine transporter
- Sodium-dependent serotonin transporter
- Substance P
- Voltage-gated sodium channel subunit alpha Nav1.8
- adrenergic Alpha2
| - CAS_1893-33-0
- NSC_4830
- PIPAMPERONE
|
BDBM85618
 | 52 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | - ADORA3
- Adenosine Receptors A2a (A2a)
- Adenosine receptor A1
- Adenosine receptor A2a
- Adenosine receptor A2b
- Adenosine receptor A3
| - CHEMBL302765
- J1.251.181G
- MRE 3008F20
|
BDBM8885
 | 15 | 34 | 1 | 4 | 0 | 0 | 0 | 0 | - Androgen Receptor
- Androgen receptor
- Anti-estrogen binding site (AEBS)
- Bile salt export pump
- C-8 sterol isomerase
- Calcium channel (Type L)
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cholinesterases
- Constitutive androstane receptor
- Corticosteroid-binding globulin
- Cytochrome P450 19A1
- Cytochrome P450 1B1
- Cytochrome P450 3A
- Estradiol receptor beta (ERβ)
- Estrogen receptor
- G-protein coupled bile acid receptor 1
- Multidrug resistance-associated protein 4
- Organic anion-transporting polypeptide 1D1 (Oatp1d1)
- Sigma non-opioid intracellular receptor 1
- Solute carrier organic anion transporter family member 1A1
- Steroid 5-alpha-reductase
- Sterol 14α-demethylase (CYP51)
- Testis-specific androgen-binding protein
- Uridine-5'-diphosphoglucuronosyltransferase 1A1
- Uridine-5'-diphosphoglucuronosyltransferase 1A6
- Uridine-5'-diphosphoglucuronosyltransferase 2B10
- Uridine-5'-diphosphoglucuronosyltransferase 2B7
| - (1S,2R,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one
- 17beta-Hydroxyandrost-4-en-3-one
- Testosterone
- Testosterone, 1
- US9682960, Testosterone
|
BDBM97672
 | 0 | 54 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytoplasmic tyrosine-protein kinase BMX
- Epidermal growth factor receptor
- Proto-oncogene tyrosine-protein kinase Src
- Receptor protein-tyrosine kinase erbB-4
- Receptor tyrosine-protein kinase erbB-2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase Blk
- Tyrosine-protein kinase CSK
- Tyrosine-protein kinase FER
- Tyrosine-protein kinase Fgr
- Tyrosine-protein kinase Fyn
- Tyrosine-protein kinase HCK
- Tyrosine-protein kinase ITK/TSK
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase TEC
- Tyrosine-protein kinase Yes
| - US8476284, 40
- US9133201, 10
- US9181263, 9
- US9278100, 9
|
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