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Compounds Sorted by Binding Targets per Compound

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Compounds Sorted Alphabetically

Compound Name (alphabetical)	Binding Targets	Enz. Inhib. Data							ITC Data	Alternate Compound Names
		Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM10850	3',5'-cyclic phosphodiesterase Acetylcholinesterase Adenosine A1 receptor Adenosine receptor A1 Adenosine receptor A2a Adenosine receptor A2b Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Chitinase 1 Chitinase Mutant (A217G) Chitinase Mutant (D175A) Chitinase Mutant (D246A) Chitinase Mutant (E177A) Chitinase Mutant (E322A) Chitinase Mutant (M243A) Chitinase Mutant (R301K) Chitinase Mutant (T138A) Chitinase Mutant (Y245F) Cholinesterases; ACHE & BCHE Endochitinase B1 Multidrug resistance-associated protein 4 Phosphodiesterase (TcrPDEC) Phosphodiesterase 4 Tumor necrosis factor cAMP-specific 3',5'-cyclic phosphodiesterase 4A cAMP-specific 3',5'-cyclic phosphodiesterase 4B	9	15	10	0	0	0	0	0	1-(5-Oxohexyl)theobromine (pentoxifylline) 3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione CHEMBL628 Pentoxifylline Pentoxil Pentoxyphylline
BDBM10864	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase Gamma-carbonic anhydrase PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) beta-Carbonic Anhydrase	131	2	0	0	0	0	0	0	4-Amino-3-bromobenzenesulfonamide 4-amino-3-bromobenzene-1-sulfonamide CHEMBL6724 aromatic/heteroaromatic sulfonamide 9 halogenosulfanilamide deriv. 5d
BDBM10866	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase Gamma-carbonic anhydrase beta-Carbonic Anhydrase	103	2	0	0	0	0	0	0	4-amino-6-(trifluoromethyl)benzene-1,3-disulfonamide CHEMBL418 aromatic/heteroaromatic sulfonamide 11
BDBM10867	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase Gamma-carbonic anhydrase beta-Carbonic Anhydrase	132	2	0	0	0	0	0	0	4-amino-6-chlorobenzene-1,3-disulfonamide CHEMBL266240 aromatic/heteroaromatic sulfonamide 12
BDBM10872	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) beta-Carbonic Anhydrase	96	0	0	0	0	0	0	0	4-amino-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1-sulfonamide CHEMBL7146 aromatic/heteroaromatic sulfonamide 17
BDBM10890	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 9 Carbonic anhydrase, alpha family Carbonic anhydrases; II & IX Delta carbonic anhydrase PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) Similar to alpha-tubulin isoform 1 beta-Carbonic Anhydrase	183	5	0	1	0	0	0	0	1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide CHEMBL77517 Compound 6 E7070 Indisulam (IND) Sulfonamide, 7
BDBM21342	5-HT5B 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Alpha-1A adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor DRD1 Dopamine D1 receptor HTR1D HTR2B HTR4 HTR6 HTR7 Histamine H1 receptor Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	84	0	0	3	0	0	0	0	(4R,7R)-N,N-diethyl-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaene-4-carboxamide CHEMBL263881 LSD LSD 25 LSD,(+) LSD,l- Lysergic Acid Diethylamide Lysergic Acid Diethylamide Tartrate [3H]-LSD d-Isolysergic acid amide
BDBM21392	5-HT5 5-HT5B 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1B (5HT1B) 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 4 (5-HT4) 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 5-hydroxytryptamine receptor 7 (5HT7) HTR1D HTR1F HTR2B HTR4 HTR5A HTR6 HTR7 Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin 1d (5-HT1d) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	122	6	4	2	0	0	0	0	3-(2-aminoethyl)-1H-indole-5-carboxamide 5-CT 5-CT,DP 5-carboxamidotryptamine CHEMBL1256863 CHEMBL18840 [3H]-5-CT [3H]-5-Carboxamide tryptamine [3H]-5-Carboxyamidotryptamine [3H]-5-carboxamidotryptamine
BDBM23620	Adrenergic Alpha Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Equilibrative Nucleoside Transporter 1 (ENT1) Gamma-aminobutyric acid receptor subunit alpha-1 Heat shock protein HSP 90-alpha Homo sapiens phosphodiesterase 2A (PDE2A) Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Multidrug resistance-associated protein 4 Multidrug resistance-associated protein 5 P-glycoprotein 1 Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 11A (PDE11A) Phosphodiesterase 3 Phosphodiesterase 3A Phosphodiesterase 4 Phosphodiesterase 4A Phosphodiesterase 6 Phosphodiesterase 7 Phosphodiesterase 8 Protein prune homolog Solute carrier family 22 member 2 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A cGMP-specific 3',5'-cyclic phosphodiesterase	8	32	0	0	0	0	0	0	2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol CHEMBL932 DIPYRIDAMOLE Dipyridamine Dipyridamole Dipyudamine MLS000028420 Persantine SMR000058382 cid_3108
BDBM24567	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cannabinoid receptor 1 Cannabinoid receptor 2 Cholesterol esterase Endothelial lipase Fatty Acid Synthase Fatty acid synthase Fatty-acid amide hydrolase 1 Fatty-acid amide hydrolase 1 (aa 30-579) Hepatic Lipase (HL) LDL-associated phospholipase A2 Lipoprotein lipase Monoacylglycerol lipase ABHD12 Monoacylglycerol lipase ABHD6 Multidrug resistance-associated protein 4 Neutral cholesterol ester hydrolase 1 Nuclear receptor subfamily 1 group I member 2 Pancreatic lipase Pancreatic triacylglycerol lipase 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	5	57	0	2	0	0	0	0	(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
BDBM249277	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 and WD repeat-containing protein 1 Bromodomain and extra-terminal motif (BET) Bromodomain-containing protein 1 Bromodomain-containing protein 4 Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) Bromodomain-containing protein 7 Bromodomain-containing protein 8 Bromodomain-containing protein 9 CREB-binding protein Cat eye syndrome critical region protein 2 E3 ubiquitin-protein ligase TRIM33 HIF1A/p300/CREB-binding protein Histone acetyltransferase KAT2A/KAT2B Nucleosome-remodeling factor subunit BPTF Peregrin Probable global transcription activator SNF2L2 Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1 Transcription initiation factor TFIID subunit 1-like Transcription intermediary factor 1-alpha	3	7	40	1	0	0	0	0	US10017501, Compound 1020-18 US9458145, 1020-18
BDBM25116	Angiopoietin-1 receptor Casein kinase I delta Casein kinase I isoform delta Epidermal growth factor receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 14 Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR Platelet-derived growth factor receptor alpha Polo-Like Kinase 3 Polo-Like Kinase 4 Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RET kinase mutant (V804L) RET kinase mutant (V804M) RPL19A Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 Serine/threonine-protein kinase RIPK2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase CSK Tyrosine-protein kinase Fyn Tyrosine-protein kinase JAK2 Tyrosine-protein kinase LCK Tyrosine-protein kinase Lck Tyrosine-protein kinase Yes Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2	8	29	0	1	0	0	0	0	1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CHEMBL306380 PP1 US10688093, Compound PP1 (Pfizer) US10807986, Comparative compound 1 cid_1400
BDBM26664	12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) 17-beta-hydroxysteroid dehydrogenase type 3 Acetylcholinesterase Adenosine Receptors A2a (A2a) Adenosine receptor A1 Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase Aldose reductase (ALR2) Androgen receptor Arachidonate 15-lipoxygenase Butyrylcholinesterase (BuChE) Calmodulin Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 9 Cytochrome P450 19A1 Cytochrome P450 1A Cytochrome P450 1B1 Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) Estradiol 17-beta-dehydrogenase 2 Fatty acid synthase P-glycoprotein 1 Serine/threonine-protein kinase pim-1 Tyrosine-protein kinase Lck Xanthine dehydrogenase/oxidase	12	26	1	0	0	0	0	0	7-Hydroxy-flavone, 5a 7-Hydroxyflavone, 11 7-hydroxy-2-phenyl-4H-chromen-4-one 7-hydroxyflavone CHEMBL276915
BDBM30704	5-HT2 5-HT5B 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 6 5-hydroxytryptamine receptor 7 5-hydroxytryptamine receptor 7 (5HT7) Bile salt export pump HTR1D HTR1E HTR1F HTR2B HTR2C HTR5A HTR6 HTR7 Heparanase Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	79	1	1	2	0	0	0	0	(phenylmethyl) N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate CHEMBL19215 METERGOLINE MLS000069437 N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid (phenylmethyl) ester N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamic acid benzyl ester SMR000059050 benzyl N-[[(6aR,9S,10aR)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-9-yl]methyl]carbamate cid_28693
BDBM4703	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase Neuraminidase A Thiopurine S-methyltransferase beta-Carbonic Anhydrase	96	4	2	0	0	0	0	0	4-carboxybenzenesulfonamide 1 4-sulfamoylbenzoic acid Benzoic Acid deriv. 31 CHEMBL414 JMC522226 Compound 22 JMC523116 Compound 22 JMC52646 Compound 23 aromatic/heteroaromatic sulfonamide 23
BDBM473172	Aurora kinase A B-RAF V600E BRAF Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase Dual specificity mitogen-activated protein kinase kinase 3 Dual specificity mitogen-activated protein kinase kinase 4 Dual specificity mitogen-activated protein kinase kinase 5 Dual specificity mitogen-activated protein kinase kinase 6 Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7) Dual specificity mitogen-activated protein kinase kinase; MEK1/2 FLT3-ITD MAP kinase ERK1 Mast/stem cell growth factor receptor Kit Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Receptor protein-tyrosine kinase erbB-4 Tyrosine-protein kinase BRK Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase Fgr Tyrosine-protein kinase Fyn Tyrosine-protein kinase Fyn (Y531F) Tyrosine-protein kinase HCK Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Yes flt3	0	22	11	0	0	0	0	0	(3R,4R)-3-((4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-1,2-dithiolan-4-ol US10844038, Example 46 B.
BDBM50004108	Acetylcholine Binding protein Choline transporter Cholinergic, Nicotinic Alpha1Beta1DeltaGamma Cholinergic, Nicotinic Alpha3Beta2 Cholinergic, Nicotinic Alpha6 Cholinergic, Nicotinic Alpha6Beta2 Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 Cholinergic, Nicotinic Alpha6Beta4 Cholinergic, Nicotinic Muscle Cytochrome P450 2A6 Cytochrome P450 3A Neuronal acetylcholine receptor Neuronal acetylcholine receptor Alpha-2/Beta-2 Neuronal acetylcholine receptor Alpha-2/Beta-4 Neuronal acetylcholine receptor Alpha-3/Beta-2 Neuronal acetylcholine receptor Alpha-3/Beta-4 Neuronal acetylcholine receptor Alpha-4/Beta-2 Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit Neuronal acetylcholine receptor protein alpha-7 subunit Neuronal acetylcholine receptor subunit alpha-2 Neuronal acetylcholine receptor subunit alpha-3 Neuronal acetylcholine receptor subunit alpha-4 Neuronal acetylcholine receptor; alpha2/beta2 Nicotinic Alpha-Bungarotoxin Potassium voltage-gated channel subfamily H member 2 n-AChR nAChR alpha4 beta2 subtype	78	3	0	0	0	0	0	0	(+-)-nicotine (R,S)-nicotine (RS)-nicotine 3-(1-methylpyrrolidin-2-yl)pyridine CHEMBL440464 Nicotin Nicotine-(+) Nikotin US8609708, 54 Nicotine US9284322, Nicotine US9993465, Nicotine nicotine
BDBM50022271	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 Epidermal growth factor receptor GTP-binding protein (rab7) Glyoxalase 1 (GLO1) Intestinal fatty acid-binding protein (hIFABP) Prostaglandin E synthase/G/H synthase 2 Prostaglandin G/H synthase (cyclooxygenase) Ras-related C3 botulinum toxin substrate 1 Ras-related protein Rab-2A. Seed lipoxygenase-1 Serum albumin 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	14	28	0	8	0	0	0	0	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
BDBM50029051	ADRB2 Adrenaline alpha2 Adrenergic alpha1B Adrenergic receptor Adrenergic receptor alpha Adrenergic receptor alpha-2 Adrenergic receptor beta Alpha adrenergic receptor 1A and 1B Alpha adrenergic receptor 1A and 1D Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-3 adrenergic receptor Bile salt export pump Cerebral cortex alpha adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D-amino-acid oxidase Imidazoline receptor 1 (I1R) Mu-type opioid receptor Solute carrier family 22 member 3 Vesicular acetylcholine transporter adrenergic Alpha1	37	10	3	30	0	0	0	0	(-)-arterenol (-)-noradrenaline (-)-norepinephrine (R)-(-)-norepinephrine (R)-4-(2-amino-1-hydroxyethyl)-1,2-benzenediol (R)-noradrenaline (R)-norepinephrine 4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol CHEMBL1437 NOREPINEPHRINE
BDBM50179360	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	4	45	3	2	0	0	0	0	CHEMBL3040216
BDBM50187377	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 4 (5-HT4) 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic receptor beta Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Angiotensin II receptor Cholecystokinin receptor D(2) dopamine receptor Dopamine receptor Endothelin receptor, ET-A/ET-B Muscarinic acetylcholine receptor Nociceptin receptor Opioid receptors; mu/kappa/delta Potassium voltage-gated channel subfamily H member 2 Serotonin 1B/1D receptor Serotonin 3 receptor (5HT3) Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Somatostatin receptor Translocator protein	30	2	0	2	0	0	0	0	CHEMBL209821 N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide
BDBM50233538	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	5	46	1	2	0	0	0	0	18beta-glycyrrhetic acid 3beta-hydroxy-11-oxoolean-12-en-30-oic acid CHEMBL230006 glycyrrhetinic acid
BDBM50263132	Aurora kinase B Casein kinase I Cyclin-dependent kinase 1 Hepatocyte growth factor receptor Inhibitor of nuclear factor kappa-B kinase subunit alpha Inhibitor of nuclear factor kappa-B kinase subunit beta MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 14 PKC alpha and beta-2 Platelet-derived growth factor receptor alpha Protein kinase C (PKC) Protein kinase C alpha type Protein kinase C delta type Protein kinase C theta type Protein kinase C, epsilon Protein kinase C, eta Proto-oncogene tyrosine-protein kinase Src Rho-associated protein kinase 1 Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase Chk1/2 Tyrosine-protein kinase Fyn Tyrosine-protein kinase HCK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Vascular endothelial growth factor receptor 2	0	27	0	0	0	0	0	0	4-(4-methyl-1H-indol-5-ylamino)-2-(3-oxo-3-(pyrrolidin-1-yl)prop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile CHEMBL477817
BDBM50330441	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adenosine receptor A1 Adenosine receptor A2a Adenosine receptor A3 Beta-1 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor HTR4 Histamine H1 receptor Histamine H2 Receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Neurokinin 2 receptor Neuromedin-K receptor Neuropeptide Y receptor type 1 Neuropeptide Y receptor type 2 Serotonin 1B/1D receptor Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter	1	30	0	1	0	0	0	0	3-amino-2-(4-(4-(quinolin-2-yl)piperazin-1-yl)butyl)-5,6,7,8-tetrahydroquinazolin-4(3H)-one CHEMBL1278088
BDBM50384725	ALK tyrosine kinase receptor Aurora kinase A/Targeting protein for Xklp2 BDNF/NT-3 growth factors receptor Calmodulin/Proto-oncogene tyrosine-protein kinase Src Cytoplasmic tyrosine-protein kinase BMX Ephrin type-A receptor 3 Ephrin type-B receptor 2 Fibroblast growth factor receptor High affinity nerve growth factor receptor Insulin receptor Insulin-like growth factor 1 receptor JNK1/JNK2 Macrophage colony-stimulating factor 1 receptor (c-Fms) Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Neuronal proto-oncogene tyrosine-protein kinase Src Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase receptor Ret RAF proto-oncogene serine/threonine-protein kinase Receptor-type tyrosine-protein kinase FLT3 TPR/MET fusion protein Tyrosine-protein kinase Fgr Tyrosine-protein kinase Lyn Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor Tie-1 Vascular endothelial growth factor receptor 1	0	29	0	0	0	0	0	0	CHEMBL2037209
BDBM50393342	3-phosphoinositide dependent protein kinase-1 Aurora kinase B Cell division cycle 7-related protein kinase Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 3A Epidermal growth factor receptor Fibroblast growth factor receptor 1 Hepatocyte growth factor receptor Insulin receptor Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Platelet-derived growth factor receptor beta Potassium voltage-gated channel subfamily H member 2 Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase RAF proto-oncogene serine/threonine-protein kinase Serine/threonine-protein kinase Chk1/2 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2	0	30	0	0	0	0	0	0	CHEMBL2152252
BDBM50441567	Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B BDNF/NT-3 growth factors receptor Cyclin-dependent kinase 1 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Hepatocyte growth factor receptor High affinity nerve growth factor receptor Inhibitor of nuclear factor kappa-B kinase subunit alpha Inhibitor of nuclear factor kappa-B kinase subunit beta Insulin receptor Insulin-like growth factor I receptor Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) Mitogen-activated protein kinase 1 Mitogen-activated protein kinase kinase kinase 10 Mitogen-activated protein kinase kinase kinase 11 Mitogen-activated protein kinase kinase kinase 2 Mitogen-activated protein kinase kinase kinase 9 (MLK1) Protein delta homolog 1 Rho-associated protein kinase 1 Rho-associated protein kinase 2 Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase Sgk1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3	0	30	1	0	0	0	0	0	CHEMBL2436978 US10485800, Example 181
BDBM580	HIV-1 Protease HIV-1 Protease A Subtype HIV-1 Protease A Subtype Mutant (V82F/I84V) HIV-1 Protease B Subtype HIV-1 Protease B Subtype Mutant (V82F/I84V) HIV-1 Protease C Subtype HIV-1 Protease C Subtype Mutant (V82F/I84V) HIV-1 Protease Mutant (A71V) HIV-1 Protease Mutant (D30N) HIV-1 Protease Mutant (D30N/A71V) HIV-1 Protease Mutant (D30N/M36I) HIV-1 Protease Mutant (D30N/M36I/A71V) HIV-1 Protease Mutant (L10I/L90M) HIV-1 Protease Mutant (M36I) HIV-1 Protease Mutant (M36I/A71V) HIV-1 Protease Mutant (M46I/I54V) HIV-1 Protease Mutant (V82A/I84V) HIV-1 Protease Mutant V6 HIV-1 Protease Mutant V6(46) HIV-1 Protease Mutant V6(46/54/84) HIV-1 Protease Mutant V6(46/84) HIV-1 Protease Mutant V6(54) HIV-1 Protease Mutant V6(54/84) HIV-1 Protease Mutant V6(84) HIV-1 Protease Mutant, MDR-HM HIV-1 Protease Mutant, MDR-QM Plasmepsin 2	17	1	0	0	0	0	0	12	(4R)-3-[(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylphenyl)formamido]-4-phenylbutanoyl]-5,5-dimethyl-N-[(2-methylphenyl)methyl]-1,3-thiazolidine-4-carboxamide AG1776 JE-2147 KNI-764
BDBM78576	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	48	2	0	4	0	0	0	0	CIS-THIOTHIXENE MLS000028463 SMR000058396 THIOTHIXENE cid_941651 med.21724, Compound Thiothixene
BDBM82087	5-HT2 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 4 (5-HT4) 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 5-hydroxytryptamine receptor 7 (5HT7) HTR1D HTR4 HTR6 HTR7 Melatonin Melatonin receptor Norepinephrine Monoamine transporters Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter Transient receptor potential cation channel subfamily M member 8 (TRPM8)	145	2	0	4	0	0	0	0	2-(5-methoxy-1H-indol-3-yl)ethanamine 5-MT 5-Methoxytryptamine hydrochloride CAS_66-83-1 tryptamine, 5-Methoxy
BDBM86748	ADENOSINE A2 Adenosine receptor A1 Adenosine transporter Alpha-1A adrenergic receptor Cannabinoid receptor 1 Cannabinoid receptor 2 D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor HRH1 HRH3 Histamine H2 receptor Monoamine transporter Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Norepinephrine Monoamine transporters Norepinephrine transporter Potassium voltage-gated channel subfamily H member 2 SLC6A3 Sodium channel protein type 5 subunit alpha Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Voltage-gated potassium channel subunit Kv4.3	31	10	0	0	0	0	0	0	CAS_386750-22-7 DESVENLAFAXINE Desvenlafaxine NSC_6918664 O-Desmethylvenlafaxine US9944618, Compound ID No. 181