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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
BDBM103302	Casein kinase II subunit alpha' Dual specificity mitogen-activated protein kinase kinase 3 Dual specificity protein kinase CLK2 Dual specificity protein kinase TTK Dual specificty protein kinase CLK1 Haspin (465-798) Haspin (aa 465-798) MAP kinase ERK1 MAP kinase ERK2 Misshapen-like kinase 1 (MINK) Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 9 Mitogen-activated protein kinase kinase kinase kinase 4 Serine/threonine-protein kinase 17A Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase D1 c-Jun N-terminal kinase 1 truncation (JNK1) (aa 1-363)	0	17	4	0	0	0	0	4	SCH772984 US8546404, 6
BDBM10858	Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) 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 Gamma-carbonic anhydrase	77	2	0	0	0	0	0	0	4-hydrazinylbenzene-1-sulfonamide CHEMBL7204 aromatic/heteroaromatic sulfonamide 3 hydrazide deriv. 14
BDBM151585	25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome CYP26A1 Cytochrome P450 11B1, mitochondrial Cytochrome P450 11B2 (CYP11B2) Cytochrome P450 17A1 Cytochrome P450 24A1 Cytochrome P450 26B1 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 3A Cytochrome P450 3A5 Cytochrome P450 3A5 (CYP3A5) Multidrug resistance-associated protein 4 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Solute carrier family 22 member 1	2	48	0	0	0	0	0	0	US8987315, Ketoconazole US9180183, Ketoconazole US9271963, Ketoconazole US9394290, KTZ (ketoconazole) US9963439, Ketoconazole
BDBM15296	Aurora B/Incenp Aurora kinase A/Targeting protein for Xklp2 Cyclooxygenase-1 (COX-1) Dual specificity protein kinase TTK Heart phosphodiesterase Homo sapiens phosphodiesterase 2A (PDE2A) Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 3 Phosphodiesterase 3 (PDE3) Phosphodiesterase 3A Phosphodiesterase 4 Phosphodiesterase 4A Phosphodiesterase 5A Phosphodiesterase Type 3 (PDE3A) Phosphodiesterase Type 3 (PDE3B) cAMP-specific 3',5'-cyclic phosphodiesterase 4A cAMP-specific 3',5'-cyclic phosphodiesterase 4B cGMP-specific 3',5'-cyclic phosphodiesterase	7	51	0	0	0	0	0	0	6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridine-3-carbonitrile 6-methyl-2-oxo-5-pyridin-4-yl-1H-pyridine-3-carbonitrile CHEMBL189 Milrinone Primacor US9242982, Milrinone US9249139, Milrinone
BDBM17662	GRIA1 GRIA2 GRIA3 GRIK1 Glutamate Carboxypeptidase II (GCPII) Glutamate receptor 1 Glutamate receptor ionotropic AMPA Glutamate receptor ionotropic, AMPA 2 Glutamate receptor ionotropic, AMPA 4 Glutamate receptor ionotropic, kainate Glutamate receptor ionotropic, kainate 1 Glutamate receptor ionotropic, kainate 2 Grik5 Ionotropic glutamate receptor kainate 2/5 Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 4 (mGluR4) Metabotropic glutamate receptor 6 NMDA receptor subunit 2C (GluN2C)	17	2	0	5	0	0	0	0	(2S)-2-amino-3-(3-hydroxy-5-methyl-1,2-oxazol-4-yl)propanoic acid 2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl)propionic acid AMPA CHEMBL276815
BDBM19190	Androgen Receptor Androgen receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Corticosteroid-binding globulin Cytochrome P450 2J2 Disintegrin and metalloproteinase domain-containing protein 17 Estradiol receptor beta (ERβ) Estrogen receptor G-protein coupled bile acid receptor 1 Glucocorticoid Glucocorticoid receptor Interleukin-6 Liver fatty acid binding protein (rat L-FABP) Mineralocorticoid receptor Multidrug resistance-associated protein 4 Progesterone receptor Tumor necrosis factor	31	72	0	42	0	0	0	0	(1S,2R,10S,11S,14R,15S,17S)-14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one CHEMBL131 Delta-Cortef Deltacortril Prednisolone US10196374, Prednisolone
BDBM19441	5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 6 Aldehyde oxidase Anti-estrogen binding site (AEBS) Bfl-1 Bile acid receptor C-8 sterol isomerase Complement C5 Cruzipain Cytochrome P450 3A Estradiol receptor beta (ERβ) Estrogen receptor HLA class I histocompatibility antigen A-3 Nuclear receptor subfamily 1 group I member 2 Phospholipase D (PLD) Phospholipase D (PldA) Phospholipase D2 (PLD2) Sigma non-opioid intracellular receptor 1 ubiquitin-conjugating enzyme E2 N	24	85	2	11	0	0	0	0	2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethoxy]phenyl}carbonyl)-1-benzothiophen-6-ol CHEMBL81 Evista Keoxifene RALOXIFENE HYDROCHLORIDE Raloxifene Raloxifene (7) Raloxifene, 6 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone cid_11071264
BDBM199250	Aurora kinase A/Targeting protein for Xklp2 Axin-1/Glycogen synthase kinase-3 beta Casein kinase I isoform alpha Inhibitor of nuclear factor kappa-B kinase subunit epsilon LIM domain kinase 1 Myosin light chain kinase, smooth muscle Myotonin-protein kinase PAK 1/CDC42 Protein kinase N1 RAC-alpha serine/threonine-protein kinase Rho-associated protein kinase 1 Rho-associated protein kinase 2 Ribosomal protein S6 kinase (P70S6K) Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase MRCK-A Serine/threonine-protein kinase Sgk1 Serine/threonine-protein kinase TBK1 Tyrosine kinase non-receptor protein 2 Tyrosine-protein kinase JAK2	0	27	0	0	0	0	0	0	US9221808, 1bo US9221808, 1bo-HCl US9221808, 1bo-Mes
BDBM25759	5-hydroxytryptamine receptor 1A Adrenergic Alpha Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-3 adrenergic receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug and toxin extrusion protein 1 Multidrug resistance-associated protein 4 P-glycoprotein 1 Potassium channel subfamily K member 10 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 22 member 2 Toll-like receptor 4 Twik-RElated Potassium (K+) channel 1 (TREK1) Uridine-5'-diphosphoglucuronosyltransferase 1A1	7	22	4	0	0	0	0	0	CHEMBL723 Carvedilol Coreg Dilatrend Eucardic [3-(9H-carbazol-4-yloxy)-2-hydroxypropyl][2-(2-methoxyphenoxy)ethyl]amine
BDBM2581	Beta-chymotrypsin Beta-lactamase AmpC CDK2/Cyclin E/G1/S-specific cyclin E2 CaM kinase II Cyclin-Dependent Kinase 4 (CDK4) Malate dehydrogenase Mixed Lineage Kinase 1 (MLK1) Mixed Lineage Kinase 3 (MLK3) Myosin light chain kinase, smooth muscle Protein Kinase C Protein kinase C (PKC) Protein kinase C alpha type Tyrosine-protein kinase JAK3 Zinc finger protein GLI1 Zinc finger protein GLI2 cAMP-Dependent Protein Kinase (PKA) cAMP-dependent protein kinase (PKA) cAMP-dependent protein kinase catalytic subunit gamma cGMP-Dependent Protein Kinase	0	24	0	0	0	0	0	0	3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaen-12-one CHEMBL16958 K-252c
BDBM26979	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Astrosclerin-3 Axin-1/Glycogen synthase kinase-3 beta Beta-carbonic anhydrase Carbonic Anhydrase VA Carbonic Anhydrase XIII Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Gamma-carbonic anhydrase	52	0	0	1	0	0	0	0	CHEMBL19429 CHEMBL69710 CHLORIDE Cl- POTASSIUM CHLORIDE SODIUM CHLORIDE chloride chloride ion
BDBM29532	5-hydroxytryptamine receptor 4 (5-HT4) Alkaline phosphatase placental-like Alkaline phosphatase, tissue-nonspecific isozyme Alpi Beta lactamase Collagenase 3 Cyclooxygenase Gag-Pol polyprotein Genome polyprotein Intestinal alkaline phosphatase Lipoxygenase (LOX) Phospholipase A2 Prostaglandin E synthase Prostaglandin G/H synthase (cyclooxygenase) TPA: Essential protein of the mitochondrial intermembrane space Toll-like receptor 9 hypothetical protein SA1422 perilipin-1 perilipin-5	0	18	0	1	0	0	0	0	(1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione CHEMBL140 CURCUMIN Curcurmin Diferuloylmethane MLS000069631 Natural yellow 3 SMR000058237 Turmeric yellow cid_969516
BDBM29615	Bfl-1 Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Glyceraldehyde-3-phosphate dehydrogenase liver Heat Shock 70kDa Protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) MKP-3 POsterior Segregation family member (pos-1) Protein fosB Protein fosB/Transcription factor jun-D RecName: Full=Zinc finger protein mex-5 Runt-Related Transcription Factor 1 Isoform AML1C Voltage-gated calcium channel subunit alpha Cav2.2 cardiac alpha tropomyosin eukaryotic translation initiation factor 4 gamma, 1 isoform 4 heat shock 70kDa protein 8 isoform 2 large T antigen neuronal munc18-1 binding protein ubiquitin-conjugating enzyme E2 N	0	29	0	2	0	0	0	0	6-methoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid MLS000072167 SMR000009698 cid_652912
BDBM31044	5-hydroxytryptamine receptor 1A Cathepsin B Cathepsin S Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Heat shock factor protein 1 Heat shock protein HSP 90-alpha Heat shock protein HSP 90-beta Lipoamide Dehydrogenase (Lpd) MKP-3 Nuclear receptor ROR-alpha Procathepsin L Pyruvate dehydrogenase (PDH) Serotonin (5-HT) receptor Sphingosine 1-phosphate receptor 1 Sphingosine 1-phosphate receptor 3 Steroidogenic Factor 1 diphosphomevalonate decarboxylase mevalonate kinase	0	38	2	5	0	0	0	0	1-Ethyl-6-methyl-3-thiophen-2-yl-1H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 1-ethyl-6-methyl-3-(2-thienyl)pyrimido[5,4-e][1,2,4]triazine-5,7-quinone 1-ethyl-6-methyl-3-thiophen-2-yl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 1-ethyl-6-methyl-3-thiophen-2-ylpyrimido[5,4-e][1,2,4]triazine-5,7-dione MLS000033110 SMR000008918 US9073941, 610 cid_653297
BDBM31072	5-hydroxytryptamine receptor 1A Angiotensin II receptor Apelin receptor Bcl-2-like protein 11 DNA damage-inducible transcript 3 protein Histone acetyltransferase GCN5 Histone acetyltransferase p300 Inosine-5'-monophosphate dehydrogenase Inosine-5'-monophosphate dehydrogenase (IMPDH) Lanosterol synthase Nuclear receptor ROR-alpha Serotonin (5-HT) receptor Sphingosine 1-phosphate receptor 1 Sphingosine 1-phosphate receptor 3 Steroidogenic Factor 1 Tumor necrosis factor XBP1 nucleotide-binding oligomerization domain containing 1 nucleotide-binding oligomerization domain containing 2	0	22	0	5	0	0	0	0	2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1,3,4-oxadiazole 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-benzothiophene 1,1-dioxide 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzothiophene 1,1-dioxide MLS000088644 SMR000072650 cid_890649
BDBM32050	Apoptosis regulator Bcl-2 Axin-1/Glycogen synthase kinase-3 beta BCL-W Beta lactamase Bfl-1 D(1A) dopamine receptor Dual Specificity Protein Phosphatase 1 Ephrin type-B receptor 4 Heat shock protein HSP 90-alpha Isoform Bcl-X(L) LANA MKP-3 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase kinase kinase kinase 2 Serine/threonine-protein kinase 33 Voltage-gated calcium channel subunit alpha Cav2.2 beta-lactamase glutathione S-transferase metallo-beta-lactamase IMP-1	0	18	0	10	0	0	0	0	MLS000080844 SMR000044769 cid_663844
BDBM34168	3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) Acetylcholinesterase Bfl-1 Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cereblon/Histone deacetylase 6 Cholinesterase Cystic fibrosis transmembrane conductance regulator HMG-CoA reductase Histone deacetylase 1 Histone deacetylase 2 Integrin alpha-L/beta-2 (LFA-1) Integrin beta-2/Leukocyte adhesion glycoprotein LFA-1 alpha Intercellular adhesion molecule (ICAM-1), Integrin alpha-L/beta-2 Multidrug resistance-associated protein 4 P-glycoprotein 1 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Sterol 14α-demethylase (CYP51)	4	40	1	1	0	0	0	0	LOVASTATIN MLS000069585 SMR000058779 US9115116, lovastatin US9353061, Lovastatina cid_53232
BDBM34182	Apoptotic peptidase activating factor 1 BZLF2 Bfl-1 Caspase-3 Caspase-9 Cathepsin B Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Focal adhesion kinase 1 MKP-3 PPP5C protein PTK2B protein tyrosine kinase 2 beta (PTK2B) Phospholipase A2 Procathepsin L SUMO-1-specific protease SUMO/sentrin specific peptidase family member 8 cysteine protease ATG4B isoform a mothers against decapentaplegic homolog 3 protein phosphatase 1, catalytic subunit, alpha isoform 3	0	29	0	0	0	0	0	0	3-anilino-2H-isoquinolin-1-one 3-anilinoisocarbostyril 3-anilinoisoquinolin-1(2H)-one 3-phenylazanyl-2H-isoquinolin-1-one MLS000043701 SMR000020713 cid_2142225
BDBM342597	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 testis-specific protein Bromodomain-containing protein 1 Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 Bromodomain-containing protein 7 CREB-binding protein Cat eye syndrome critical region protein 2 E3 ubiquitin-protein ligase TRIM33 Histone acetyltransferase KAT2A/KAT2B Probable global transcription activator SNF2L2 Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1-like Transcription intermediary factor 1-alpha	10	17	0	1	0	0	0	0	N-[3-(3-methyl-4-oxo-4,5,6,7-tetrahydro-2H-isoindol-1-yl)-4-phenoxyphenyl]methanesulfonamide US9776990, Example 40
BDBM34336	DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Gag-Pol polyprotein Induced myeloid leukemia cell differentiation protein Mcl-1 MPI protein Mannose-6-phosphate isomerase RGS7 Regulator of G-protein signaling 8 diphosphomevalonate decarboxylase eukaryotic translation initiation factor 4 gamma, 1 isoform 4 insulin-degrading enzyme isoform 1 precursor large T antigen mevalonate kinase phosphatase, orphan 1 phosphomannomutase 2 probable DNA dC->dU-editing enzyme APOBEC-3A regulator of G-protein signaling 4 regulator of G-protein signalling 16 streptokinase A precursor	0	17	0	7	0	0	0	0	2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)-1,2-benzothiazol-3-one 2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one 2-(2-morpholino-5-morpholinosulfonyl-phenyl)-1,2-benzothiazol-3-one 2-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]-1,2-benzothiazol-3-one MLS000055722 SMR000060745 cid_2325815
BDBM34340	Alkaline phosphatase, tissue-nonspecific isozyme G protein signalling regulator 19 Gag-Pol polyprotein M18 aspartyl aminopeptidase MPI protein Mannose-6-phosphate isomerase Procathepsin L RGS7 Regulator of G-protein signaling 8 diphosphomevalonate decarboxylase eukaryotic translation initiation factor 4 gamma, 1 isoform 4 insulin-degrading enzyme isoform 1 precursor large T antigen mevalonate kinase neutrophil cytosolic factor 1 phosphatase, orphan 1 phosphomannomutase 2 regulator of G-protein signaling 4 regulator of G-protein signalling 16	0	20	0	6	0	0	0	0	2-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-1,2-benzothiazol-3-one 2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,2-benzothiazol-3-one 2-(4-methyl-3-piperidinosulfonyl-phenyl)-1,2-benzothiazol-3-one 2-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-1,2-benzothiazol-3-one MLS000057572 SMR000060796 cid_2327953
BDBM34905	Apurinic-apyrimidinic endonuclease 1 (APE-1) Delta-type opioid receptor Dual specificity protein phosphatase (VHR) Heat shock protein HSP 90-beta Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP Hematopoietic protein-tyrosine phosphatase (HEPTP) Lipoamide Dehydrogenase (Lpd) MPI protein Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Pyruvate dehydrogenase (PDH) Ras-related C3 botulinum toxin substrate 1 Trypanosoma brucei RNA editing ligase 1 Tyrosine-protein kinase ABL1 cell division cycle 42 (GTP binding protein, 25kDa) cysteine protease ATG4B isoform a exonuclease V (RecBCD complex), alpha chain tyrosyl-DNA phosphodiesterase 2	0	18	2	5	0	0	0	0	1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-dione 1,6-dimethyl-3-propyl-pyrimido[5,4-e][1,2,4]triazine-5,7-quinone 1,6-dimethyl-3-propylpyrimido[5,4-e][1,2,4]triazine-5,7-dione MLS000718932 SMR000291200 US9073941, 617 cid_3164059
BDBM35226	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Cytochrome P450 2D6 D(2) dopamine receptor D(3) dopamine receptor Monoamine transporter Norepinephrine transporter Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Transporter adrenergic Alpha2 n-AChR	26	6	0	0	0	0	0	0	(S,S)-reboxetine Reboxetine Vestra
BDBM373711	Cytochrome P450 1A Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A EFGR (L747-E749del, A750P) EGF-R Tyrosine Kinase Mutant (G719C) EGFR (G719S) EGFR (L861Q) EGFR E746-A750del EGFR L747-S752del, P753S EGFR L747-T750del EGFR S752-I759del Epidermal growth factor receptor Epidermal growth factor receptor(L858R) Epidermal growth factor receptor(L858R, T790M) Receptor tyrosine-protein kinase erbB-2	0	13	21	0	0	0	0	0	US10246444, Example 40
BDBM46355	Bile salt export pump Cytochrome P450 3A N+/K+ ATPase alpha-4/beta-1 Na,K-ATPase alpha1beta1 Na,K-ATPase alpha2beta1 Na,K-ATPase alpha2beta2 Na,K-ATPase alpha2beta3 Na,K-ATPase isoform alpha-1 (α1) Nuclear receptor ROR-gamma (RORC) P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Replicase polyprotein 1ab STAT3 Sodium/potassium-transporting ATPase alpha-1 chain Solute carrier organic anion transporter family member 1A4 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) Transcription Factor STAT1	8	22	1	0	0	0	0	0	DIGOXIN MLS000069819 SMR000059217 US10668094, Compound Digoxin cid_2724385
BDBM50002173	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 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 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor	27	4	0	1	0	0	0	0	3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CHEMBL431367 roxindole
BDBM50002692	Bile salt export pump C-X-C chemokine receptor type 4 (CXCR4) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 DNA polymerase beta HIV-1 B HXB2-LAI-IIIB-BRU HIV-1 protease Human immunodeficiency virus type 1 protease Human immunodeficiency virus type 1 reverse transcriptase Multidrug resistance-associated protein 4 PKC alpha and beta-2 Protein kinase C, epsilon Reverse Transcriptase Reverse transcriptase Serum albumin Thymidine kinase Thymidine kinase, cytosolic Thymidylate kinase Uridine-5'-diphosphoglucuronosyltransferase 2B7	10	35	2	20	0	0	0	0	(AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT)1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-((2R,4R,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione 1-((2R,4S,5S)-4-(diazoamino)-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione 1-((2R,4S,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione 1-((2R,4S,5S)-4-azido-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione 1-((2R,5S)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-((2S,4R,5R)-4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (AzddThd, AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (N3ddThd) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione [AZT] 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(3'-azido-2',3'-dideoxythymidine) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(Zidovudine, AZT) 1-(4-Azido-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione(azidothymidine, AZT) 3'-Azido-3'-deoxy-thymidine 3'-Deoxy-3-azidothymidine 3'-azido-2',3'-dideoxythymidine 3'-azido-thymidine 3'azido-2'3'-dideoxythymidine 3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)triaz-1-en-2-ium-1-ide 4-(4-Azido-5-hydroxy-tetrahydro-furan-2-yl)-5-methyl-3H-pyrazine-2,6-dione AZT BW-A-509U BWA509U CHEMBL129 Retrovir US10071110, Compound AZT ZIDOVUDINE azidothymidine zidovudin zudovidine
BDBM50007692	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor D(2) dopamine receptor Dopamine receptor HTR6 Metabotropic glutamate receptor 3 Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	19	13	2	0	0	0	0	0	8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione CHEMBL1204189 CHEMBL35057 TIOSPERONE
BDBM50017345	Acidic fibroblast growth factor Bone morphogenetic protein 2 Bone morphogenetic protein 4 Bone morphogenetic protein 6 C-C motif chemokine 2 C-C motif chemokine 5 C-X-C motif chemokine 2 Chemokine CXCL12 Eotaxin Fibroblast growth factor 2 Fibroblast growth factor 4 Fibroblast growth factor 7 Interferon gamma Platelet factor 4 Proheparin-binding EGF-like growth factor Protein Wnt-3a Secreted frizzled-related protein 1 Sonic hedgehog protein Vascular endothelial growth factor A	0	0	19	0	0	0	0	0	CHEMBL3288260
BDBM50017346	Acidic fibroblast growth factor Bone morphogenetic protein 2 Bone morphogenetic protein 4 Bone morphogenetic protein 6 C-C motif chemokine 2 C-C motif chemokine 5 C-X-C motif chemokine 2 Chemokine CXCL12 Eotaxin Fibroblast growth factor 2 Fibroblast growth factor 4 Fibroblast growth factor 7 Interferon gamma Platelet factor 4 Proheparin-binding EGF-like growth factor Protein Wnt-3a Secreted frizzled-related protein 1 Sonic hedgehog protein Vascular endothelial growth factor A	0	0	19	0	0	0	0	0	CHEMBL3288258
BDBM50018019	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Alpha-1A adrenergic receptor Alpha-2C adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Potassium voltage-gated channel subfamily H member 2 Sodium-dependent serotonin transporter	21	2	0	0	0	0	0	0	CHEMBL3290012
BDBM50021574	Angiopoietin-1 receptor Epidermal growth factor receptor Ferrochelatase R115L (FECH) Fibroblast growth factor receptor 1 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Hepatocyte growth factor receptor Insulin-like growth factor I receptor Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Platelet-derived growth factor receptor alpha Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RET kinase mutant (V804L) RET kinase mutant (V804M) Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	1	112	1	0	0	0	0	0	BMS-907351 CABOZANTINIB CHEBI:72317 Cabometyx Cometriq US10183928, Cabozantinib US10202365, Compound Cabozantinib US10227329, Compound Cabozantinib US10273211, Compound Cabozantinib US10464902, Cabozantinib US10774070, Compound Cabozantinib XL-184 cabozantinib s-malate
BDBM50025206	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 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 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor	31	0	1	0	0	0	0	0	(6,7-Dihydroxy-1,2,3,4-tetrahydro-naphthalen-2-yl)-dimethyl-ammonium TL99
BDBM50026220	Acetylcholinesterase Adrenaline alpha1 Adrenaline alpha2 Choline Acetyltransferase Choline acetylase Choline transporter Creatine transporter Neuronal acetylcholine receptor Neuronal acetylcholine receptor Alpha-3/Beta-2 Neuronal acetylcholine receptor Alpha-3/Beta-4 Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit Neuronal acetylcholine receptor subunit alpha-2 Neuronal acetylcholine receptor subunit alpha-3 Neuronal acetylcholine receptor subunit alpha-4 Solute carrier family 22 member 1 Solute carrier family 22 member 2 n-AChR	17	9	0	0	0	0	0	0	2-hydroxy-N,N,N-trimethylethanaminium CHEMBL282468 CHEMBL293410 CHEMBL920 N-trimethylethanolamine OXTRIPHYLLINE choline trimethylethanolamine
BDBM50041457	3C-like proteinase 3C-like proteinase (3CL-PRO) Beta amyloid A4 protein Bile salt export pump Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Heparanase Histamine N-methyltransferase Histidine-rich protein Phosphoehtnaolamine Methyltransferases 1 (PMT1) Phosphoehtnaolamine Methyltransferases 2 (PMT2) Phosphoethanolamine N-methyltransferase Potassium voltage-gated channel subfamily H member 2 Replicase polyprotein 1ab	1	29	1	3	0	0	0	0	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol AMODIAQUINE CHEMBL682 med.21724, Compound 188
BDBM50062614	Adrenergic Alpha Bile salt export pump CHRM4 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Histamine H1 receptor Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 22 member 2	10	15	0	0	0	0	0	0	CHEMBL900 Dimethyl-[2-(phenyl-o-tolyl-methoxy)-ethyl]-amine Disipal Invagesic N,N-dimethyl-2-(phenyl(o-tolyl)methoxy)ethanamine Norflex Norgesic ORPHENADRINE Orphengesic
BDBM50073765	CDK2/CycE CDK4/Cyclin D3 CDK6/CycD3 CDK7/Cyclin H/MNAT1 Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 2 (CDK2) Cyclin-Dependent Kinase 4 (CDK4) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-Dependent Kinase 9 (CDK9) Cyclin-dependent kinase 1 Dual specificity protein kinase CLK1/CLK4 Dual specificity protein kinase CLK2 Dual specificity protein kinase CLK3 Epidermal growth factor receptor Interferon-induced, double-stranded RNA-activated protein kinase PKC alpha and beta-2 Platelet-derived growth factor receptor Protein kinase C alpha type cAMP-dependent protein kinase (PKA)	0	27	0	1	0	0	0	0	CHEMBL367625 N*2*-((1R,2S)-2-Amino-cyclohexyl)-N*6*-(3-chloro-phenyl)-9-ethyl-9H-purine-2,6-diamine
BDBM50092079	ALK tyrosine kinase receptor BDNF/NT-3 growth factors receptor Cytoplasmic tyrosine-protein kinase BMX Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor High affinity nerve growth factor receptor Insulin receptor Macrophage colony stimulating factor receptor Mast/stem cell growth factor receptor Kit NT-3 growth factor receptor Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase receptor Ret Tyrosine-protein kinase Fgr Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lyn Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor Tie-1 Vascular endothelial growth factor receptor 2	0	19	0	0	0	0	0	0	CHEMBL3582439
BDBM50100861	3-dehydroquinate synthase Alpha-(1,3)-fucosyltransferase VII Alpha-glucosidase MAL12 Anthrax toxin receptor 2 Carbonic Anhydrase XIV 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 Dihydroorotate dehydrogenase (fumarate) M18 aspartyl aminopeptidase Procathepsin L Procollagen-proline,2-oxoglutarate-4-dioxygenase Tyrosinase Xanthine dehydrogenase	13	10	0	0	0	0	0	0	3,4-Dihydroxybenzoate, VIII 3,4-dihydroxybenzoic acid 4,5-Dihydroxybenzoic acid 4-Carboxy-1,2-dihydroxybenzene CHEMBL37537 Protocatechuic acid Protocatechuic acid (M1) Protocatehuic acid cid_72
BDBM50173093	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Delta-type opioid receptor Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5	19	0	0	0	0	0	0	0	1-(2-Methoxy-phenyl)-piperidine-4-carboxylic acid [4-methoxy-3-(4-methyl-piperazin-1-yl)-phenyl]-amide CHEMBL195927
BDBM50180251	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 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	15	1	0	9	0	0	0	0	1-((S)-2-aminopropyl)-1H-indazol-6-ol CHEMBL371300
BDBM50187243	Aldehyde oxidase Androgen receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 2B1 Cytochrome P450 2B6 Cytochrome P450 3A Estradiol receptor beta (ERβ) Estrogen receptor Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Multidrug resistance-associated protein 4 Nuclear receptor subfamily 1 group I member 3 Solute carrier family 22 member 2 Steroid 5-alpha-reductase Sulfotransferase 1A1 (SULT1A1) Testis-specific androgen-binding protein Uridine-5'-diphosphoglucuronosyltransferase 1A1	9	17	3	4	0

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