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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
BDBM103727	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 JAK1 (aa 866-1154) JAK1 (aa850-1154) JAK2 (aa 808-1132) JAK3 (aa 781-1124) JAK3 (aa811-1124) Jak1 protein Macrophage colony-stimulating factor 1 receptor Non-receptor tyrosine-protein kinase TYK2 Potassium voltage-gated channel subfamily H member 2 TYK2 (aa888-1187) Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase receptor FLT3	0	44	0	0	0	0	0	0	US10112907, Example 00033 US10206907, Compound 200 US8563545, 1
BDBM10850	Adenosine A1 receptor Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A2b Bile salt export pump Chitinase 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) Endochitinase B1 Phosphodiesterase (TcrPDEC) Phosphodiesterase 4 Tumor necrosis factor cAMP-specific 3',5'-cyclic phosphodiesterase 4A	9	6	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
BDBM11242	3-phosphoinositide dependent protein kinase-1 3C-like proteinase (3CL-PRO) Aurora kinase A Epidermal growth factor receptor Fibroblast growth factor receptor 1 Glycogen synthase kinase-3 beta Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 Platelet-derived growth factor receptor beta Protein kinase C alpha type Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 RAF serine/threonine protein kinase Signal transducer and activator of transcription 3 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lyn Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) c-Jun N-terminal kinase, JNK	0	23	0	0	0	0	0	0	5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide niclosamide
BDBM124970	ABL Mutant (T315I) CDK7/Cyclin H/MNAT1 Cyclin-Dependent Kinase 5 (CDK5) Cyclin-dependent kinase 2 Cyclin-dependent kinase 3 (CDK3) Epithelial discoidin domain-containing receptor 1 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Homeodomain-interacting protein kinase 1 Mast/stem cell growth factor receptor Kit PITSLRE serine/threonine-protein kinase CDC2L1 Platelet-derived growth factor receptor Platelet-derived growth factor receptor (PDGFr) Proto-oncogene tyrosine-protein kinase receptor Ret RAF serine/threonine protein kinase Serine/threonine-protein kinase 10 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) p38 delta/gamma	0	0	21	0	0	0	0	0	US8765747, 2
BDBM14028	Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2) Myosin light chain kinase, smooth muscle Polo-Like Kinase 3 Polo-Like Kinase 4 Rho-associated protein kinase 1 Rho-associated protein kinase 2 Rho-kinase (ROCK II) Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 cAMP-Dependent Protein Kinase (PKA) cAMP-Dependent Protein Kinase (PKA) Mutant (E127D) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/E127D/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (L49I/V123M/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/Q181K/T183A) cAMP-Dependent Protein Kinase (PKA) Mutant (V123M/T183A)	8	18	0	0	0	0	0	0	(S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE 4-methyl-5-{[(2S)-2-methyl-1,4-diazepane-1-]sulfonyl}isoquinoline H-1152 H-1152P
BDBM14769	Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 2A Phosphodiesterase 3 Phosphodiesterase 3 (PDE3) Phosphodiesterase 4 Phosphodiesterase 4 and 5 (PDE4 and PDE5) Phosphodiesterase 8 Phosphodiesterase Type 10 (PDE10A) Phosphodiesterase Type 11 (PDE11A) Phosphodiesterase Type 2 (PDE2A) Phosphodiesterase Type 3 (PDE3B) Phosphodiesterase Type 4 (PDE4B) Phosphodiesterase Type 4 (PDE4D) Phosphodiesterase Type 5 (PDE5A) Phosphodiesterase Type 7 (PDE7B) Phosphodiesterase Type 9 (PDE9A) cAMP-specific 3',5'-cyclic phosphodiesterase 4B cGMP-specific 3',5'-cyclic phosphodiesterase	0	22	0	0	0	0	0	0	6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-2H-pyridazin-3-one 6-(4-(difluoromethoxy)-3-methoxyphenyl)pyridazin-3(2H)-one 6-(4-Difluoromethoxy-3-methoxy-phenyl)-2H-pyridazin-3-one 6-[4-(difluoromethoxy)-3-methoxyphenyl]-2,3-dihydropyridazin-3-one CHEMBL313842 Zaradaverine Zardaverine
BDBM19130	Coagulation factor VII/tissue factor Histone Deacetylase (pfHDAC-1) Histone Deacetylase 10 (HDAC10) Histone Deacetylase 6 (HDAC6) Histone Lysine Demethylase Histone deacetylase 1 Histone deacetylase 1/3/5/8 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 3/Nuclear receptor corepressor 2 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Histone deacetylase HD1B Histone deacetylase HD2 Histone deacetylase-like amidohydrolase	9	174	2	4	0	0	0	1	(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide CHEMBL99 TSA Trichostatin A (TSA)
BDBM191640	ALK tyrosine kinase receptor Hepatocyte growth factor receptor Histone Deacetylase 10 (HDAC10) Histone deacetylase 1 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Mast/stem cell growth factor receptor Kit Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	0	20	0	0	0	0	0	0	US9186318, 9
BDBM22870	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 2A Bile salt export pump D(2) dopamine receptor D(3) dopamine receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 HTR7 Histamine H4 receptor Monoamine transporters; serotonin & dopamine Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Sulfotransferase 1A1 (SULT1A1) Sulfotransferase 2A1 (SULT2A1)	34	1	0	0	0	0	0	0	13-chloro-10-(piperazin-1-yl)-2-oxa-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaene 2-chloro-11-piperazin-1-yldibenzo[b,f][1,4]oxazepine Amoxapine Asendin CHEMBL1113 Demolox
BDBM22872	5-Hydroxytryptamine receptor 6 (5-HT6) 5-hydroxytryptamine receptor 2C ADRA1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1D adrenergic receptor Cerebral cortex alpha adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 HTR7 Histamine H1 receptor Histamine H4 receptor Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor TRAR1 ubiquitin-conjugating enzyme E2 N	27	6	0	0	0	0	0	0	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
BDBM23223	Aldose reductase (AR) Apoptosis regulator Bcl-2 BCL-W Bcl-2-like protein 1 Beta-lactamase AmpC Caspase-1 DNA-3-methyladenine glycosylase Estrogen receptor Induced myeloid leukemia cell differentiation protein Mcl-1 Kinesin-like protein 1 Lactate Dehydrogenase Lactate dehydrogenase (LDH) Lactate dehydrogenase A (LDHA) Lactate dehydrogenase B (LDHB) Malate Dehydrogenase (pfMDH) Malate Dehydrogenase, mitochondrial Malate dehydrogenase cytoplasmic Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) eukaryotic translation initiation factor 4 gamma, 1 isoform 4	35	31	6	0	0	0	0	0	7-[8-formyl-1,6,7-trihydroxy-3-methyl-5-(propan-2-yl)naphthalen-2-yl]-2,3,8-trihydroxy-6-methyl-4-(propan-2-yl)naphthalene-1-carbaldehyde CHEMBL51483 Gossypol Gossypol (C9) Gossypol, 4 Pogosin Tash 1 US9115061, Gossypol cid_3503
BDBM24778	Aldehyde oxidase Aldehyde oxidase (AO) Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B Cdc25C DNA gyrase Dual specificity phosphatase Cdc25B Dual specificity protein phosphatase 1 Glutathione reductase (GR) Indoleamine 2,3-dioxygenase 1 MKP-3 Monoamine oxidase B (MAO-B) Protein-glutamine gamma-glutamyltransferase 2 (TG2) Trypanothione reductase Ubiquitin C-terminal Hydrolase L3 (UCH-L3) Ubiquitin carboxyl-terminal hydrolase isozyme L1 Ubiquitin carboxyl-terminal hydrolase isozyme L1 (UCH-L1) Ubiquitin carboxyl-terminal hydrolase isozyme L3 (UCH-L3) perilipin-1 perilipin-5	7	26	0	0	0	0	0	0	2-methyl-1,4-dihydronaphthalene-1,4-dione 2-methyl-1,4-naphthoquinone, 5 CHEMBL590 Menadione Menadione (5d) Menadione (Vitamin K3) Menadione, 9 Vitamin K3 cid_4055
BDBM26188	3-dehydroquinate synthase Autoinducer 2-binding periplasmic protein luxP Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 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 MDM2-MDMX Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Procollagen-proline,2-oxoglutarate-4-dioxygenase	50	4	0	0	0	0	0	1	α-CA inhibitor, 12 1,2-Dihydroxybenzene, XI 1,2-dihydroxybenzene CHEMBL280998 benzene-1,2-diol phenol derivative, 2
BDBM26189	Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 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 Estradiol receptor beta (ERβ) Estrogen receptor Procollagen-proline,2-oxoglutarate-4-dioxygenase Prostaglandin G/H synthase (cyclooxygenase) Tyrosinase	24	7	1	0	0	0	0	1	α-CA inhibitor, 13 1,3-Dihydroxybenzene, XII 1,3-dihydroxybenzene CHEMBL24147 US9688816, 4 benzene-1,3-diol phenol derivative, 3
BDBM26194	Alpha-glucosidase MAL12 Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Epidermal growth factor receptor Gamma-amino-N-butyrate transaminase Procollagen-proline,2-oxoglutarate-4-dioxygenase Succinate semialdehyde dehydrogenase Thiopurine S-methyltransferase	31	5	0	0	0	0	0	0	4-Hydroxybenzoate, III 4-hydroxybenzoic acid CHEMBL441343 p-Hydroxybenzoic acid phenol derivative, 8
BDBM26994	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Beta-carbonic anhydrase Carbonic Anhydrase VA 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 Ecto-5'-nucleotidase (e5'NT) Gamma-carbonic anhydrase beta-Carbonic Anhydrase	77	6	0	0	0	0	0	0	CHEMBL68253 H2NSO3H sulfamic acid
BDBM29643	Apoptosis Regulator Bcl-xL Apoptosis regulator Bcl-2 BCL-W Bcl-2-related protein A1 Cathepsin L1 D(2) dopamine receptor DOPAMINE Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 Glucose 6-phosphate dehydrogenase (G6PD) Induced myeloid leukemia cell differentiation protein Mcl-1 M18 aspartyl aminopeptidase MDM2-MDMX MPI protein Runt-Related Transcription Factor 1 Isoform AML1C eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase glutathione S-transferase poly(A) binding protein, cytoplasmic 1	5	17	0	6	0	0	0	0	(6aS)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrochloride (S)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol Apomorphine,(+) CHEMBL416288 MLS000028867 S(+)-10,11-DIHYDROXYAPORPHINE HYDROCHLORIDE SMR000058671 cid_6852389
BDBM34849	Cathepsin L1 DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) M18 aspartyl aminopeptidase MPI protein MSRA protein Mannose-6-phosphate isomerase RGS7 Regulator of G-protein signaling 8 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase hexokinase large T antigen neutrophil cytosolic factor 1 phosphomannomutase 2 probable DNA dC->dU-editing enzyme APOBEC-3A regulator of G-protein signaling 4 regulator of G-protein signalling 16	0	17	0	7	0	0	0	0	6-fluoranyl-2-(2-methylphenyl)-1,2-benzothiazol-3-one 6-fluoro-2-(2-methylphenyl)-1,2-benzisothiazol-3(2H)-one 6-fluoro-2-(2-methylphenyl)-1,2-benzothiazol-3-one 6-fluoro-2-(o-tolyl)-1,2-benzothiazol-3-one MLS000729299 SMR000307577 cid_1510379
BDBM40697	Alkaline phosphatase placental-like Alkaline phosphatase, tissue-nonspecific isozyme Alpi Cathepsin L1 DNA dC->dU-editing enzyme APOBEC-3G Eph receptor A4 Estradiol receptor beta (ERβ) Glucose 6-phosphate dehydrogenase (G6PD) Induced myeloid leukemia cell differentiation protein Mcl-1 Intestinal alkaline phosphatase M18 aspartyl aminopeptidase POsterior Segregation family member (pos-1) RecName: Full=Zinc finger protein mex-5 TCRAV4S1 Trypanosoma brucei RNA editing ligase 1 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase lens epithelium-derived growth factor p75 nuclear receptor subfamily 4, group A, member 1 probable DNA dC->dU-editing enzyme APOBEC-3A serum albumin precursor	0	18	0	6	0	0	0	0	4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-benzenediol 4-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,2-diol 4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)benzene-1,2-diol 4-(2,3-dihydroimidazo[2,1-b]thiazol-6-yl)pyrocatechol MLS000530540 SMR000135520 cid_877570
BDBM50003359	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Adrenergic alpha1B CHRM5 D(2) dopamine receptor D(3) dopamine receptor HTR4 Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic receptor M1 and M2 Serotonin (5-HT) receptor Serotonin receptor (2b and 2c)	29	23	0	21	0	0	0	0	5-(4-Hexyloxy-[1,2,5]thiadiazol-3-yl)-1-methyl-1,2,3,6-tetrahydro-pyridine; oxalic acid 5-[4-(hexyloxy)-1,2,5-thiadiazol-3-yl]-1-methyl-1,2,3,6-tetrahydropyridine CHEMBL21536 CHEMBL73149 LY 246708 Xanomeline
BDBM50015314	Aurora kinase A Aurora kinase B Cyclin-Dependent Kinase 1 (CDK1) Epidermal growth factor receptor Fibroblast growth factor receptor 1 Hepatocyte growth factor receptor Insulin-like growth factor I receptor Mast/stem cell growth factor receptor Kit 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 Platelet-derived growth factor receptor beta Potassium voltage-gated channel subfamily H member 2 RAF proto-oncogene serine/threonine-protein kinase RAF serine/threonine protein kinase Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase Chk1 Serine/threonine-protein kinase Nek2 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	0	20	0	0	0	0	0	0	CHEMBL3263869
BDBM50017347	Acidic fibroblast growth factor Basic 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 4 Fibroblast growth factor 7 Heparanase 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	1	19	0	0	0	0	0	CHEMBL3288259
BDBM50017702	15-Lipoxygenase (LoxA) Bile salt export pump Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Delta-type opioid receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Kappa-type opioid receptor Mu-type opioid receptor Potassium channel subfamily K member 2 Sodium channel protein type I I alpha subunit Sodium channel protein type II alpha subunit Twik-RElated Potassium (K+) channel 1 (TREK1) Voltage-dependent T-type calcium channel subunit alpha-1H Voltage-gated T-type calcium channel Voltage-gated calcium channel subunit alpha Cav2.2 streptokinase A precursor	2	21	5	3	0	0	0	0	1-(bis(4-fluorophenyl)methyl)-4-cinnamylpiperazine 1-[Bis-(4-fluoro-phenyl)-methyl]-4-((E)-3-phenyl-allyl)-piperazine 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine 1-[Bis-(4-fluoro-phenyl)-methyl]-4-(3-phenyl-allyl)-piperazine(flunarizine) CHEMBL30008 CHEMBL539027 Flunarizine NCGC00018102 cid_6365505
BDBM50026045	5-hydroxytryptamine receptor 2A ADRB2 Alpha-1A adrenergic receptor Bile salt export pump D(2) dopamine receptor D(3) dopamine receptor DOPAMINE DRD2 Dopamine D2 receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR1D HTR6 Histamine H1 receptor Muscarinic acetylcholine receptor M2 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sigma non-opioid intracellular receptor 1 adrenergic Alpha2	61	9	0	0	0	0	0	0	(R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 3-Bromo-N-((R)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (Remoxipride) 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide(remoxipride) CHEMBL22242 REMOXIPRIDE
BDBM50026957	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A (5-HT1A) Adrenergic Alpha D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE DRD1 DRD2 Dopamine D1 receptor Dopamine D1B Dopamine D2 receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine D5 receptor Dopamine receptor Dopamine receptors; D2 & D4 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sigma non-opioid intracellular receptor 1 adrenergic Alpha2	62	3	0	0	0	0	0	0	(cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol) (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol FLUPENTHIXOL, Alpha FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol Flupenthixol Flupenthixol, Beta
BDBM50033376	ALK tyrosine kinase receptor Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Epidermal growth factor receptor Fibroblast growth factor receptor 2 Hepatocyte growth factor receptor Platelet-derived growth factor receptor Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Receptor tyrosine-protein kinase erbB-2 Receptor tyrosine-protein kinase erbB-4 Serine/threonine-protein kinase AKT2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3	0	21	0	0	0	0	0	0	CHEMBL3357634
BDBM50040241	5-Hydroxytryptamine receptor 6 (5-HT6) 5-hydroxytryptamine receptor 2C CHRM5 D(1A) dopamine receptor DOPAMINE Dopamine D1 receptor Dopamine D1B Dopamine D2 receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 Muscarinic acetylcholine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	30	0	0	0	0	0	0	0	3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine 3-Fluoro-6-(4-methyl-piperazin-1-yl)-11H-dibenzo[b,e]azepine(fluperlapine) CHEMBL63756 Fluperlapine
BDBM50087856	Dual specificity protein phosphatase (VHR) Dual specificity protein phosphatase 23 (VHZ) Dual specificity protein phosphatase CDC14A Hematopoietic protein-tyrosine phosphatase (HEPTP) Laforin Low molecular weight phosphotyrosine protein phosphatase (LMWPTP) Mitogen-activated protein kinase phosphatase 5 (MKP5) Nuclear proteasome inhibitor UBLCP1 Protein phosphatase 5 (PP5) Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Protein-tyrosine phosphatase pez Receptor-type tyrosine-protein phosphatase F (LAR) Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Receptor-type tyrosine-protein phosphatase gamma Tyrosine-protein phosphatase non-receptor type 11 Tyrosine-protein phosphatase non-receptor type 2 Tyrosine-protein phosphatase non-receptor type 3 (PTPH1) carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1 isoform 1 tyrosine-protein phosphatase non-receptor type 5 isoform a	1	20	0	0	0	0	0	0	CHEMBL3426913
BDBM50099887	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C DOPAMINE Delta-type opioid receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor	23	0	0	0	0	0	0	0	3-[4-(2-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine CHEMBL282424
BDBM50099890	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C DOPAMINE Delta-type opioid receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor	23	0	0	0	0	0	0	0	3-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine CHEMBL435949
BDBM50099892	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C DOPAMINE Delta-type opioid receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor	23	0	0	0	0	0	0	0	3-[4-(4-Methylsulfanyl-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine CHEMBL28651
BDBM50099893	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C DOPAMINE Delta-type opioid receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor	23	0	0	0	0	0	0	0	3-[4-(4-Fluoro-phenyl)-piperazin-1-ylmethyl]-1H-pyrrolo[2,3-b]pyridine CHEMBL28997
BDBM50105102	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Adenosine receptor A3 Adrenergic receptor alpha-1 D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Dopamine D5 receptor Histamine H1 receptor Histamine H2 Receptor Kappa-type opioid receptor Monoamine transporters; serotonin & dopamine Mu-type opioid receptor Sigma non-opioid intracellular receptor 1 Substance-K receptor Substance-P receptor Voltage-gated L-type calcium channel	0	20	0	0	0	0	0	0	4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazine-1-carboxylic acid [2-(4-ethoxy-phenyl)-ethyl]-amide CHEMBL113956
BDBM50113851	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 2C Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 D(1A) dopamine receptor D(2) dopamine receptor Lysine-specific histone demethylase 1A Lysine-specific histone demethylase 1B Lysyl oxidase homolog 2 Monoamine transporters; serotonin & dopamine Serotonin (5-HT) receptor Serotonin receptor (2b and 2c) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Trypsin-1	12	25	0	2	0	0	0	0	(+/-)-Tranylcypromine 2-PCPA 2-Phenyl-cyclopropylamine 2-phenylcyclopropanamine CHEMBL313833 TRANYLCYPROMINE Tranylcypromine,(+) Tranylcypromine,(-) US8609708, 6 Tranyl- cypromine US8609708, 6 Tranylcypromine
BDBM50131440	5-HT1 5-Hydroxytryptamine receptor 6 (5-HT6) 5-hydroxytryptamine receptor 2C Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor CHRM5 D(2) dopamine receptor D(3) dopamine receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 Histamine H1 receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	32	5	0	0	0	0	0	0	10-(2-(1-methylpiperidin-2-yl)ethyl)-2-(methylsulfinyl)-10H-phenothiazine 2-Methanesulfinyl-10-[2-(1-methyl-piperidin-2-yl)-ethyl]-10H-phenothiazine CHEMBL1088 MESORIDAZINE NC-123 Serentil TPS-23
BDBM50132097	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2C Adrenergic alpha1B Adrenergic receptor alpha-2 Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) Imidazoline receptor 1 (I1R) Muscarinic acetylcholine receptor Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent serotonin transporter	28	0	0	0	0	0	0	0	7-Methoxy-2,3,4,9-tetrahydro-1H-beta-carboline CHEMBL6310
BDBM50140176	ADAM17 Collagenase Histone Deacetylase 10 (HDAC10) Histone deacetylase 1 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase 10 Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Stromelysin-1	0	22	0	0	0	0	0	0	CHEMBL3394285
BDBM50153594	Bile acid receptor Cytochrome P450 1A Cytochrome P450 2A6 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Glucocorticoid Nuclear receptor ROR-alpha Nuclear receptor ROR-beta Nuclear receptor ROR-gamma Oxysterols receptor LXR-alpha Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Progesterone receptor Retinoic acid receptor RXR-alpha Retinoid receptor Steroidogenic Factor 1 Vitamin D3 receptor	0	6	0	17	0	0	0	0	CHEMBL3774855
BDBM50179207	CDK7/Cyclin H/MNAT1 Casein kinase I Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Focal adhesion kinase 1 Glycogen synthase kinase-3 Insulin receptor Mitogen-activated protein kinase 1 Platelet-derived growth factor receptor Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src Receptor tyrosine-protein kinase erbB-2 SRC Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Lck Vascular endothelial growth factor receptor cAMP-dependent protein kinase (PKA)	0	34	0	0	0	0	0	0	3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine CHEMBL120077 JNJ-10198409
BDBM50193874	Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Ephrin type-B receptor 4 (EphB4) Epidermal growth factor receptor Fibroblast growth factor receptor 1 Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src RAF proto-oncogene serine/threonine-protein kinase Ribosomal protein S6 kinase (P70S6K) SRC Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Blk Tyrosine-protein kinase CSK Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Yes Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	2	28	0	0	0	0	0	0	7-(2,6-dimethylphenyl)-5-methyl-N-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)benzo[e][1,2,4]triazin-3-amine 7-(2,6-dimethylphenyl)-5-methyl-N-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1,2,4-benzotriazin-3-amine CHEMBL436137 US8481536, 322
BDBM50194668	Aurora kinase A Aurora kinase B Cyclin-Dependent Kinase 5 (CDK5) Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 9 Non-receptor tyrosine-protein kinase TYK2 Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Ribosomal protein S6 kinase alpha 5 Tyrosine-protein kinase BTK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) c-Jun N-terminal kinase, JNK cAMP-dependent protein kinase (PKA) p21-Activated kinase 2 (PAK2)	0	20	0	0	0	0	0	0	4-methyl-3-(2-(2-morpholinoethylamino)quinazolin-6-yl)-N-(3-(trifluoromethyl)phenyl)benzamide CHEMBL215943
BDBM50194671	Aurora kinase A Aurora kinase B Cyclin-Dependent Kinase 5 (CDK5) Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 9 Non-receptor tyrosine-protein kinase TYK2 Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Ribosomal protein S6 kinase alpha 5 Tyrosine-protein kinase BTK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2) c-Jun N-terminal kinase, JNK cAMP-dependent protein kinase (PKA) p21-Activated kinase 2 (PAK2)	0	20	0	0	0

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