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Compounds Sorted by Binding Data per Compound

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85   86   87   88   89   90   91   92   93   94   95   96   97   98   99   100   101   102   103   104   105   
106   107   108   109   110   111   112   113   114   115   116   117   118   119   120   121   122   123   124   125   127   
128   129   130   132   133   134   135   136   137   138   139   140   141   143   144   145   146   147   148   149   150   
151   153   154   155   156   159   160   161   163   164   165   168   170   171   173   174   176   178   179   183   184   
186   188   189   190   191   192   193   196   198   199   200   203   205   206   207   208   209   210   216   220   224   
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444   445   446   447   448   451   453   454   455   457   458   460   463   465   467   473   477   478   482   484   499   
504   505   506   517   525   543   549   551   554   591   606   663   691   708   796   804   821   825   833   842   847   
854   855   861   873   879   883   887   913   914   925   926   938   947   1010   1027   1050   1052   1081   1082   1102   1115   
1130   1133   1206   1262   1543   1639   1903   2029   

Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM16047	16	18	1	0	0	0	0	0	Beta-secretase 1 Cathepsin D beta-Secretase (BACE-1)	(4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid CHEMBL78946 EVNXXAEF N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine OM99-2
BDBM21016	20	15	0	0	0	0	0	0	Neurokinin 1 receptor Neurokinin 2 receptor Neuromedin-K receptor	CHEMBL22870 L 732138 L-732,138 L732138 N-acetyltryptophan 3,5-bis(trifluoromethyl)benzyl ester [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate
BDBM22872	27	8	0	0	0	0	0	0	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 6 ADRA1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1D adrenergic receptor Cerebral cortex alpha adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Dopamine receptor HTR6 HTR7 Histamine H1 receptor Histamine H4 receptor Potassium channel subfamily K member 9 Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor TRAR1 ubiquitin-conjugating enzyme E2 N	1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methyl-piperazine;maleate 1-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine 1-{6-chloro-2-thiatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-yl}-4-methylpiperazine CHEMBL64249 CLOROTEPINE (+) CLOROTEPINE(-) Clothepin OCTOCLOTHEPIN,(+) OCTOCLOTHEPIN,(-) Octoclothepin Octoclothepine
BDBM23416	18	14	2	0	0	0	0	0	Aldose reductase Alpha-amylase Arginase Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 3 (CA III) Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Cyclooxygenase Death-associated protein kinase 1 Dihydroorotate dehydrogenase (fumarate) Lymphocyte differentiation antigen CD38 Pancreatic triacylglycerol lipase Prostaglandin G/H synthase (cyclooxygenase) Prothrombin Xanthine dehydrogenase/oxidase alpha-Glucosidase (α-Glucosidase)	α-CA inhibitor, 3 (+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol CHEMBL311498 Catechin D-Catechin
BDBM293424	0	0	0	35	0	0	0	0	Axin-1/Glycogen synthase kinase-3 beta Dual-specificity tyrosine-phosphorylation regulated kinase 1A Proto-oncogene Wnt-1	US10106527, Compound 10 US10106527, Compound 142 US10106527, Compound 143 US10106527, Compound 144 US10106527, Compound 459 US10544128, Compound 144 US9951048, Compound 459
BDBM32061	0	33	0	2	0	0	0	0	Apoptotic peptidase activating factor 1 Caspase-9 Cathepsin B Cathepsin S DNA recombination protein RecA Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Heat shock protein HSP 90-alpha Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP Hematopoietic protein-tyrosine phosphatase (HEPTP) MKP-3 Phospholipase A2 Procathepsin L cysteine protease ATG4B isoform a	1,8-bis(azanyl)-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile 1,8-diamino-3,6-bis(1-pyrrolidinyl)-2,7-naphthyridine-4-carbonitrile 1,8-diamino-3,6-dipyrrolidin-1-yl-2,7-naphthyridine-4-carbonitrile 1,8-diamino-3,6-dipyrrolidino-2,7-naphthyridine-4-carbonitrile MLS000054131 SMR000061605 cid_2997948
BDBM350085	29	6	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Axin-1/Glycogen synthase kinase-3 beta Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrases; II & IX Cytochrome P450 2C9 Cytochrome P450 3A DNA-PK/Ku70/Ku85 Dual-specificity tyrosine-phosphorylation regulated kinase 2 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Glycogen synthase kinase-3 Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase kinase kinase 9 Serine-protein kinase ATM Serine/threonine-protein kinase ATR Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Mer Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3 p110α/p85α	3-[3-[4-[dideuterio(methylamino)methyl]phenyl]isoxazol-5-yl]-5-(4-isopropylsulfonylphenyl)pyrazin-2-amine BDBM50226746 US10208027, Compound II-1 US10208027, Compound II-2 US10208027, Compound II-3 US10208027, Compound II-4 US10479784, Compound IIA-7 US10822331, Cmpd II-4
BDBM37953	0	35	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A Solute carrier family 22 member 11 Solute carrier family 22 member 12 Xanthine dehydrogenase Xanthine dehydrogenase/oxidase	US10093631, Compound Lesinurad US10336710, Lesinurad US10752613, Compound Lesinurad
BDBM39344	12	23	0	0	0	0	0	0	Acetylcholinesterase Acid phosphatase (acpA) Adrenaline alpha1 Adrenaline alpha2 Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 D(2) dopamine receptor DNA (cytosine-5)-methyltransferase 1 (DNMT1) Genome polyprotein Multidrug resistance-associated protein 4 Muscarinic acetylcholine receptor M2 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 22 member 1 Solute carrier family 22 member 2 Solute carrier family 22 member 3 Solute carrier family 22 member 4 Voltage-gated L-type calcium channel	4-amino-N-[2-(diethylamino)ethyl]benzamide;hydrochloride 4-azanyl-N-[2-(diethylamino)ethyl]benzamide;hydrochloride MLS000069436 PROCAINAMIDE PROCAINAMIDE HYDROCHLORIDE SMR000059079 cid_66068
BDBM50009552	24	9	1	1	0	0	0	0	ADORA1 ADORA3 Adenosine A1 receptor Adenosine A2 receptor Adenosine A2a receptor Adenosine Receptors A2a (A2a) Adenosine receptor Adenosine receptor A1 Adenosine receptor A2a Adenosine receptor A2a and A3 Adenosine receptor A2b	2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol CHA CHEMBL45891 N6-Cyclohexylado (CHA)
BDBM50017452	31	0	0	4	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C ADRA2C Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-2A adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor 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)	2-chloro-6-piperazin-1-ylpyrazine 6'-Chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl 6'-Chloro-3,4,5,6-tetrahydro-2H-[1,2']bipyrazinyl(MK-212) CHEMBL269521 L-630,571 MK 212 MK-212
BDBM50017543	8	20	4	3	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A (5HT2A) Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Cerebral cortex alpha adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Dopamine receptor Mu-type opioid receptor Potassium voltage-gated channel subfamily H member 2 Tissue inhibitor of metalloproteinases-3	(6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium (6aR,9R,10aR)-9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline 5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinolin-7-ium(Pergolide) 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline(pergolide) 9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline, mesylate (Pergolide) CHEMBL531 PERGOLIDE Permax [2-(1H-Indol-4-yl)-ethyl]-methyl-amine cid_47811
BDBM50019056	19	10	0	6	0	0	0	0	Delta-type opioid receptor Kappa-type opioid receptor Mu opioid receptor-like OR2 Mu-type opioid receptor Nociceptin receptor Nociceptin/Orphanin FQ, NOP receptor Opioid receptor Opioid receptor, delta 1b Opioid receptors; mu & delta	(S)-2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid ([Met]-enkephalin)2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid([Met]-enkephalin 2-[(S)-2-(2-{2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-1-oxo-3-phenyl-propylamino]-4-methylsulfanyl-butyric acid 2-[1-[1-amino-2-(4-hydroxyphenyl)-(1S)-ethylcarboxamidomethylcarboxamidomethylcarboxamido]-2-phenyl-(1S)-ethylcarboxamido]-4-methylsulfanyl-(2S)-butanoic acid 2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-acetylamino}-acetylamino)-3-phenyl-propionylamino]-4-methylsulfanyl-butyric acid CHEMBL13786 H-Tyr-Gly-Gly-Phe-Met-OH Met5-Enkephalin [Met5]-enkephalin met-enkephalin
BDBM50027656	5	30	0	0	0	0	0	0	Arachidonate 15-lipoxygenase, type II Dihydrofolate reductase Folate receptor alpha Folate receptor beta Folate transporter 1 Glycinamide ribonucleotide formyltransferase (GARFTase) Proton-coupled folate transporter Thymidylate Synthase (TS) Thymidylate synthase Thymidylate synthase/GAR transformylase/AICAR transformylase	CHEBI:63616 LY-2315 LY-231514 PEMETREXED US9422297, Pemetrexed
BDBM50029031	14	15	0	6	0	0	0	0	Choline acetylase Ecto-5'-nucleotidase (e5'NT) Ectonucleoside triphosphate diphosphohydrolase 1 Ectonucleoside triphosphate diphosphohydrolase 2 Ectonucleoside triphosphate diphosphohydrolase 8 Nucleoside triphosphate diphosphohydrolase 3 P2X purinoceptor 4 P2Y purinoceptor 1 Purinergic receptor P2Y11 Purinergic receptor P2Y12 Purinergic receptor P2Y2 Purinergic, P2X2 Pyrimidinergic receptor P2Y4 Pyrimidinergic receptor P2Y6	1-Amino-4-{4-[4-chloro-6-(3-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid1-Amino-4-{4-[4-chloro-6-(4-sulfo-phenylamino)-[1,3,5]triazin-2-ylamino]-3-sulfo-phenylamino}-9,10-dioxo-9,10-dihydro-anthracene-2-sulfonic acid CHEMBL223344 CID44285648 basilen blue cibacron blue (mixer, meta and para isomers
BDBM50030627	26	9	0	0	0	0	0	0	GRIA3 Glutamate receptor ionotropic, NMDA 1 Glutamate receptor ionotropic, kainate 1 Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 Metabotropic glutamate receptor 4 (mGlu4) Metabotropic glutamate receptor 4 (mGluR4) Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 8 (mGlu8) Phospholipase C-beta-1	(+-)-MCPG (R,S)-alpha-Methyl-4-carboxyphenylglycine 4-(1-Amino-1-carboxy-ethyl)-benzoic acid 4-(1-Amino-1-carboxy-ethyl)-benzoic acid(S-M4CPG) CHEMBL299683 MCPG
BDBM50031589	0	0	35	0	0	0	0	0	Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrases; II & IX	CHEMBL3359179
BDBM50031720	2	33	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Bile salt export pump Calcium channel (Type L) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 Potassium voltage-gated channel subfamily H member 2 Sodium channel protein type 5 subunit alpha Sodium channel protein type 7 subunit alpha Voltage-gated L-type calcium channel Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1	(Dofetilide) N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methylamino}-ethoxy)-phenyl]-methanesulfonamide CHEMBL473 DOFETILIDE N-[4-(2-{[2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-METHYL-AMINO}-ETHOXY)-PHENYL]-METHANESULFONAMIDE DOFETILIDE N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (UK-68798) N-[4-(2-{[2-(4-Methanesulfonylamino-phenyl)-ethyl]-methyl-amino}-ethoxy)-phenyl]-methanesulfonamide (dofetilide) N-[4-(2-{[2-(4-methanesulfonylamino-phenoxy)-ethyl]-methyl-amino}-ethyl)-phenyl]-methanesulfonamide TIKOSYN UK-68,798 US10167299, Dofetilide
BDBM50035729	11	24	0	0	0	0	0	0	Monoamine transporters; Norepininephrine & dopamine Norepinephrine Monoamine transporters Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane 8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester CHEMBL82027
BDBM50042944	0	32	0	3	0	0	0	0	Aldose reductase Aldose reductase (AR) Arachidonate 5-lipoxygenase Bcl-2-like protein 11 Beta amyloid A4 protein Beta-secretase 1 Cyclooxygenase Cytochrome P450 19A1 Estradiol 17-beta-dehydrogenase 1 Estradiol 17-beta-dehydrogenase 2 Estrogen receptor Human immunodeficiency virus type 1 integrase Monoamine oxidase NLRP3 protein Neuraminidase Neuronal acetylcholine receptor protein alpha-7 subunit Probable global transcription activator SNF2L2 Proteasome subunit beta type-1/beta type-5 Protein-tyrosine phosphatase 1B Sialidase Tyrosyl-DNA phosphodiesterase 1 Xanthine dehydrogenase	(E)-1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone (E)-1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one 1-(2,4-Dihydroxy-phenyl)-3-(4-hydroxy-phenyl)-propenone 1-(2,4-Dihydroxyphenyl)-3-(4-hydroxyphenyl)-prop-2-en-1-one 1-(2,4-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one 2',4',4-trihydroxychalcone 2',4,4'-trihydroxychalcone 2,4'-dihydroxy-4-hydroxychalcone CHEMBL129795 Isoliquiritigenin (1) cid_638278
BDBM50058655	0	33	0	2	0	0	0	0	3C-like proteinase (3CL-PRO) Aldehyde dehydrogenase Angiotensin II receptor Apelin receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Caspase-1 Cystic fibrosis transmembrane conductance regulator Fatty-acid amide hydrolase 1 Fructose-1,6-bisphosphatase Histone-lysine N-methyltransferase EHMT1 Lysine-specific demethylase 5A Lysyl oxidase Lysyl oxidase homolog 2 Lysyl oxidase homolog 3 Lysyl oxidase homolog 4 Monoglyceride lipase Multidrug resistance-associated protein 4 Protein G9a (G9a) Replicase polyprotein 1ab Transient receptor potential cation channel subfamily A member 1 perilipin-1 perilipin-5	1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane 1,1'-dithiobis(N,N-diethylthioformamide) Antabuse (TN) CHEMBL964 DISULFIRAM N,N,N',N'-tetraethylthiuram disulfide N,N-diethyl[(diethylcarbamothioyl)disulfanyl]carbothioamide (G5) bis(diethylthiocarbamoyl) disulfide cid_3117 med.21724, Compound 151 tetraethylthioperoxydicarbonic diamide tetraethylthiuram disulfide tetraethylthiuram disulphide
BDBM50062522	10	20	0	5	0	0	0	0	GRM7 GRM8 Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 Metabotropic glutamate receptor 4 (mGlu4) Metabotropic glutamate receptor 4 (mGluR4) Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 6 (mGlu6) Metabotropic glutamate receptor 7 (mGlu7)	(1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl)cyclopropanecarboxylic acid (1S,2S)-2-[(1S)-1-amino-1-carboxy-2-(9H-xanthen-9-yl)ethyl]cyclopropanecarboxylic acid (1S,2S)-2-[(S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid (1S,2S)-2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid (S)-2-[(S)-1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid 2-[(1S,2S)-2-carboxycyclopropyl]-3-(9H-xanthen-9-yl)-D-alanine 2-[1-Amino-1-carboxy-2-(9H-xanthen-9-yl)-ethyl]-cyclopropanecarboxylic acid(LY341495) CHEMBL432038
BDBM50063918	1	34	0	0	0	0	0	0	72 kDa type IV collagenase Collagenase 3 Disintegrin and metalloproteinase domain-containing protein 17 Immunoglobulin epsilon Fc receptor Interstitial collagenase Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Matrix metalloproteinase-9 Snake venom metalloproteinase Bap1 Stromelysin-1	(2R,3S)-N*4*-Hydroxy-2-isobutyl-N*1*-((S)-1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide 4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE 4-Methyl-2-[1-methyl-2-(thiophen-2-ylsulfanyl)-ethyl]-pentanoic acid (1-methylcarbamoyl-2-phenyl-ethyl)-amide BATIMASTAT BB-94 CHEMBL279786 N*4*-Hydroxy-2-isobutyl-N*1*-(1-methylcarbamoyl-2-phenyl-ethyl)-3-(thiophen-2-ylsulfanylmethyl)-succinamide
BDBM50071058	1	26	6	2	0	0	0	0	3C-like proteinase (3CL-PRO) Beta lactamase Beta-galactosidase C-C chemokine receptor type 6 (CCR6) Flavin-Dependent Monooxygenase Siderophore A (SidA) Heat shock factor protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) Monoglyceride lipase (MGL) Phosphatidylinositol 3,4,5-trisphosphate 3-phosphatase and dual-specificity protein phosphatase PTEN Protein-tyrosine phosphatase Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Regulator of G-protein signaling 17 Serine/threonine-protein kinase RIPK2 T-cell protein-tyrosine phosphatase Telomerase reverse transcriptase Toll-like receptor 9 Tyrosine-protein phosphatase non-receptor type 11 nuclear receptor subfamily 4, group A, member 1	(2R,4aS,6aS,12bR,14aS,14bR)-10-Hydroxy-2,4a,6a,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,6,6a,11,12b,13,14,14a,14b-tetradecahydro-picene-2-carboxylic acid CELASTROL CHEMBL301982 cid_4274774
BDBM50092310	12	2	21	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 2B Bromodomain-containing protein 2 Bromodomain-containing protein 2 Bromo 1 domain(BRD2 BD1) Bromodomain-containing protein 2 Bromo 2 domain(BRD2 BD2) Bromodomain-containing protein 3 Bromodomain-containing protein 3 Bromo 1 domain(BRD3 BD1) Bromodomain-containing protein 3 Bromo 2 domain(BRD3 BD2) Bromodomain-containing protein 4 Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) CREB-binding protein Myeloid/lymphoid or mixed-lineage leukemia (MLL) Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1 Transcription intermediary factor 1-alpha	CHEMBL3581661 US9675697, Cpd. No. 23
BDBM50139178	16	4	0	15	0	0	0	0	Oxytocin receptor Vasopressin V1a receptor Vasopressin V1b receptor Vasopressin V2 receptor	CHEMBL3763342
BDBM50185473	35	0	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Dopamine receptor Histamine H1 receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	4-(3-(4-chlorophenyl)-3-hydroxy-8-aza-bicyclo[3.2.1]octan-8-yl)-1-(4-fluorophenyl)butan-1-one 4-[3-(4-Chloro-phenyl)-3-hydroxy-8-aza-bicyclo[3.2.1]oct-8-yl]-1-(4-fluoro-phenyl)-butan-1-one 4-[3-(4-Chlorophenyl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-(4-fluorophenyl)butan-1-one CHEMBL210578
BDBM50225106	10	25	0	0	0	0	0	0	Nitric Oxide Synthase, endothelial Nitric Oxide Synthase, inducible Nitric oxide synthase, brain Nitric oxide synthase, endothelial Nitric oxide synthase, inducible Nitric-oxide synthase, brain	(2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino}pentanoic acid (2S)-2-amino-5-{[(E)-amino(nitroimino)methyl]amino}pentanoic acid]] (2S)-2-amino-5-{[(E)-imino(nitroamino)methyl]amino}pentanoic acid (2S)-2-amino-5-{[imino(nitroamino)methyl]amino}pentanoic acid (S)-2-Amino-5-(N'-nitro-guanidino)-pentanoic acid 2-Amino-5-(N'-nitro-guanidino)-pentanoic acid CHEMBL227744 N-OMEGA-NITRO-L-ARGININE N-nitro-L-arginine NG-nitroarginine Ngamma-nitro-L-arginine Nomega-nitro-L-arginine
BDBM50232153	33	2	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2C 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 Histamine H4 receptor 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 1B/1D receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter	(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol (2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol CHEMBL257283 MDL 100907 MDL-100907
BDBM50236898	9	24	1	1	0	0	0	0	Alpha-1A adrenergic receptor Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Bile salt export pump Cytochrome P450 2B6 Cytochrome P450 2C19 Lysine-specific histone demethylase 1A Monoamine Oxidase Type B (MAO-B) Monoamine oxidase REST corepressor 1 Thrombin & trypsin trace amine-associated receptor 1	(1S,2R)-(+)-2-phenylcyclopropylamine CHEMBL257990 TRANYLCYPROMINE Tranylcypromine (TCP) trans-2-phenylcyclopropanamine trans-2-phenylcyclopropylamine
BDBM50244809	0	28	0	7	0	0	0	0	5-hydroxytryptamine receptor 2B Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Arachidonate 5-lipoxygenase Beta-1 adrenergic receptor Beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Epidermal growth factor receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Neurokinin 2 receptor Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Potassium voltage-gated channel subfamily H member 2 Prostaglandin E2 receptor Prostaglandin E2 receptor EP4 subtype Prostaglandin F2-alpha receptor Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	(2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy]propanoicAcid (R)-2-(3-((3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid CHEMBL461571
BDBM50251742	3	31	1	0	0	0	0	0	Endothelin-converting enzyme 1 Endothelin-converting enzyme 1 (ECE1) Endothelin-converting enzyme 2 (ECE-2) Neprilysin Neutral Endopeptidase (NEP) Thermolysin	(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-2H-pyran-2-yl hydrogen (S)-1-((S)-1-(1H-indol-3-yl)-3-oxobutan-2-ylamino)-4-methyl-1-oxopentan-2-ylphosphoramidate (S)-2-{(R)-2-[Hydroxy-((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-((3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-1-oxo-pentylamino}-3-(1H-indol-3-yl)-propionic acid (S)-2-{(S)-2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid (S)-3-(1-Hydroxy-1H-indol-3-yl)-2-{(S)-2-[hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-propionic acid (phosphoramidon) 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid 2-{2-[Hydroxy-(3,4,5-trihydroxy-6-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid 2-{2-[Hydroxy-(3,4,6-trihydroxy-5-methyl-tetrahydro-pyran-2-yloxy)-phosphorylamino]-4-methyl-pentanoylamino}-3-(1H-indol-3-yl)-propionic acid( Phosphoramidon) CHEMBL479579 N-alpha-L-rhamnopyranosyloxy(hydroxyphosphinyl)-L-Leucyl-L-Tryptophan Phosphoramidon Phosporamidon phosphramidon
BDBM50277889	0	35	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 20S proteasome 20S proteasome chymotrypsin-like 26S proteosome Cathepsin A (CTSA) Cathepsin B Cathepsin G Glutathione transferase omega 1 Proteasome subunit beta type-1/beta type-5 Proteasome subunit beta type-10 Proteasome subunit beta type-7 Proteasome subunit beta type-9 mRNA cap guanine-N7 methyltransferase	CARFILZOMIB CHEMBL451887
BDBM50278312	35	0	0	0	0	0	0	0	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase XIII Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Gamma-carbonic anhydrase	CHEMBL445433 sodium stannate(IV)
BDBM50329822	0	0	27	0	4	4	0	0	Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 2 Carbonic anhydrase 7 Carbonic anhydrase 9	5-[(2-Benzyl-1H-benzimidazol-1-yl)acetyl]-2-chlorobenzenesulfonamide CHEMBL1272242 N-alkylated benzimidazole derivative, 4d carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 5
BDBM50333131	35	0	0	0	0	0	0	0	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase XIII Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Gamma-carbonic anhydrase	CHEMBL1075630 sodium pyrovanadate(V) tetrasodium {[dioxido(oxo)vanadio]oxy}(oxo)vanadiumbis(olate)
BDBM50347659	0	32	3	0	0	0	0	0	Aurora kinase A/Targeting protein for Xklp2 BDNF/NT-3 growth factors receptor Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Ferrochelatase R115L (FECH) Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Hepatocyte growth factor receptor High affinity nerve growth factor receptor Macrophage-stimulating protein receptor Potassium voltage-gated channel subfamily H member 2 Proto-oncogene tyrosine-protein kinase receptor Ret Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 3	CHEMBL1802916 MK-2461
BDBM50422689	6	29	0	0	0	0	0	0	Glutathione S-transferase (GST) Glutathione peroxidase 1 (GPx) Glutathione reductase (GR) Oligopeptide transporter small intestine isoform Penicillin-binding protein 1A Penicillin-binding protein 2B Penicillin-binding protein 2x Solute carrier family 15 member 2	640/359 CEFUROXIME
BDBM50483194	0	35	0	0	0	0	0	0	Neuraminidase	CS-8958 LANINAMIVIR OCTANOATE Laninamivir octanoate Laninamivir octanoic acid ester R-118958
BDBM50523438	31	0	0	4	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A 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 Histamine H2 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1 and M3 Muscarinic acetylcholine receptor M2 and M5 Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	CHEMBL4469848
BDBM50523439	31	0	0	4	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A 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 Histamine H2 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1 and M3 Muscarinic acetylcholine receptor M2 and M5 Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	CHEMBL4466483
BDBM50523440	31	0	0	4	0	0

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