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Compounds Sorted by Binding Data per Compound

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Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM11022	17	17	0	0	0	0	0	0	Acetylcholinesterase Acyl-CoA: cholesterol acyltransferase (ACAT) Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B Carboxylesterase 1 Cholinesterase Chorismate mutase (MTB CM) Factor XIIa Monoamine Oxidase Type B (MAO-B) Monoamine oxidase type B (MAO-B) Mutant (I199F) Protein-glutamine gamma-glutamyltransferase 2 (TG2) Transthyretin	2,3-dihydro-1H-indole-2,3-dione CHEMBL326294 Isatin Isatin (Compound 1)
BDBM14754	6	26	0	2	0	0	0	0	Acetylcholinesterase Bile salt export pump DNA recombination protein RecA Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 3 (PDE3) Phosphodiesterase 3A Phosphodiesterase 4 Phosphodiesterase 4A Phosphodiesterase Type 10 (PDE10A) Potassium voltage-gated channel subfamily H member 2 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A cAMP-specific 3',5'-cyclic phosphodiesterase 4C cGMP-dependent 3',5'-cyclic phosphodiesterase cGMP-inhibited 3',5'-cyclic phosphodiesterase B cGMP-specific 3',5'-cyclic phosphodiesterase protein-arginine deiminase type-4	1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-isoquinoline 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline 6,7-dimethoxy-1-veratryl-isoquinoline;hydrochloride CHEMBL19224 Papaverine
BDBM22722	26	8	0	0	0	0	0	0	Acetylcholinesterase Acyl-CoA: cholesterol acyltransferase (ACAT) Carboxylesterase Carboxylesterase 1 Carboxylesterase 2 Cholinesterase Factor XIIa Fatty-acid amide hydrolase 1	1,2-diphenylethane-1,2-dione Benzil CHEMBL189886 Diphenylethane-1,2-dione
BDBM22857	6	26	0	2	0	0	0	0	Acetylcholinesterase Acyl-CoA: cholesterol acyltransferase (ACAT) Apoptotic peptidase activating factor 1 Carboxylesterase 2 Caspase-9 Cholinesterase Factor XIIa Focal adhesion kinase 1 Human rhinovirus A protease Leukocyte common antigen PTK2B protein tyrosine kinase 2 beta (PTK2B) Papain Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Protein-tyrosine phosphatase 1B Serine/threonine-protein kinase PLK1 Telomerase reverse transcriptase Valosin-containing protein cysteine protease ATG4B isoform a nuclear receptor corepressor 2 isoform 2 perilipin-1 perilipin-5 photoreceptor-specific nuclear receptor protein-arginine deiminase type-4 tyrosyl-DNA phosphodiesterase 2	1,2-Dione-Based Compound, 14 9,10-dihydrophenanthrene-9,10-dione CHEMBL51931 Phenanthrene-9,10 dione cid_6763
BDBM22971	6	27	1	0	0	0	0	0	17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) Aldo-keto reductase family 1 member C1 Aldo-keto reductase family 1 member C2 Aldo-keto reductase family 1 member C4 (AK1C4) Arachidonate 5-lipoxygenase Bile salt export pump Cyclooxygenase Cyclooxygenase-1 (COX-1) Cyclooxygenase-2 (COX-2) Intestinal fatty acid-binding protein (hIFABP) Liver fatty acid binding protein (rat L-FABP) Prostaglandin G/H synthase (cyclooxygenase) Transcription factor SOX-18 (SOX-18) Transthyretin	2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid CHEMBL509 Meclofenamate Meclofenamic acid
BDBM25116	8	25	0	1	0	0	0	0	Casein kinase I delta Casein kinase I isoform delta Epidermal growth factor receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 14 Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR Platelet-derived growth factor receptor Polo-Like Kinase 3 Polo-Like Kinase 4 Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RPL19A SRC Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 Serine/threonine-protein kinase RIPK2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase CSK Tyrosine-protein kinase JAK2 Tyrosine-protein kinase LCK Tyrosine-protein kinase Lck Tyrosine-protein kinase ZAP-70 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	1-tert-butyl-3-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine CHEMBL306380 PP1 cid_1400
BDBM25756	7	13	10	4	0	0	0	0	ADRB2 Adrenergic receptor beta Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor Beta-3 adrenergic receptor Bile salt export pump (BSEP) Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Neuropeptide Y receptor type 1 Neuropeptide Y receptor type 2 P-glycoprotein 1 Serotonin 1B/1D receptor Sodium channel protein type I I alpha subunit	(2R,3R)-2,3-dihydroxysuccinic acid;1-(isopropylamino)-3-[4-(2-methoxyethyl)phenoxy]propan-2-ol Betalok CHEMBL13 Metoprolol Spesicor Spesikor metoprolol tartrate {2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine
BDBM26664	12	21	1	0	0	0	0	0	12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) 17-beta-hydroxysteroid dehydrogenase type 3 Acetylcholinesterase Adenosine Receptors A2a (A2a) Adenosine receptor A1 Aldose reductase (ALR2) Androgen receptor Arachidonate 15-lipoxygenase Aromatase (CYP19) Butyrylcholinesterase (BuChE) Calmodulin Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 9 Cytochrome P450 1A Estradiol 17-beta-dehydrogenase 1 (17beta-HSD1) Estradiol 17-beta-dehydrogenase 2 Fatty acid synthase P-glycoprotein 1 Serine/threonine-protein kinase PIM Tyrosine-protein kinase Lck Xanthine dehydrogenase/oxidase	7-Hydroxy-flavone, 5a 7-Hydroxyflavone, 11 7-hydroxy-2-phenyl-4H-chromen-4-one 7-hydroxyflavone CHEMBL276915
BDBM26993	34	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 XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Gamma-carbonic anhydrase	BF4(-) CHEMBL1780189 Tetrafluoroborate tetrafluoroboranuide
BDBM28799	0	2	0	32	0	0	0	0	Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Peroxisome proliferator-activated receptor gamma	2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid CHEMBL278590 GW 9578 GW-9578 GW9578
BDBM320017	0	34	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A P2X purinoceptor 2 P2X purinoceptor 3 P2X2/3	Trans Isomer 1; 3- (5-chloro-1,3- thiazol-2-yl)-5-{[3- hydroxybutan-2- yl]oxy}-N-{(1R)-1- [2-(trifluoromethyl) pyrimidin-5-yl]ethyl} benzamide US10174016, Example 184 US10174016, Example 185 US10174016, Example 187 US10174016, Example 188 US10202369, Example 188
BDBM32085	0	30	0	4	0	0	0	0	Apoptotic peptidase activating factor 1 Caspase-3 Caspase-9 DNA recombination protein RecA Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Heat shock protein HSP 90-alpha MKP-3 PPP5C protein SUMO-1-specific protease SUMO/sentrin specific peptidase family member 8 Serine/threonine-protein kinase PLK1 Trypanosoma brucei RNA editing ligase 1 Tyrosine-protein kinase ABL1 protein phosphatase 1, catalytic subunit, alpha isoform 3 tyrosyl-DNA phosphodiesterase 2	MLS000085603 N-(2-hydroxy-1,3-diketo-indan-2-yl)benzamide N-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)benzamide N-(2-hydroxy-1,3-dioxo-2-indenyl)benzamide N-(2-hydroxy-1,3-dioxoinden-2-yl)benzamide N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]benzamide SMR000020538 cid_3237318
BDBM50006584	19	13	0	2	0	0	0	0	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	(McN-A-343) [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride 4-((3-chlorophenyl)carbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium chloride 4-(3-chlorophenylcarbamoyloxy)-N,N,N-trimethylbut-2-yn-1-aminium 4-[N-(3-chlorophenyl)carbamoyloxy]-2-butynyltrimethylammonium chloride CHEMBL40554 CHEMBL74300 McN-A-343 [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride [4-(3-Chloro-phenylcarbamoyloxy)-but-2-ynyl]-trimethyl-ammonium; chloride (McN-A-343)
BDBM50007692	19	13	2	0	0	0	0	0	5-Hydroxytryptamine receptor 6 (5-HT6) 5-hydroxytryptamine receptor 2C Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor CHRM5 Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor HTR6 Metabotropic glutamate receptor 3 (mGlu3) Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 2 (5-HT2) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione CHEMBL1204189 CHEMBL35057 TIOSPERONE
BDBM50021656	0	34	0	0	0	0	0	0	JAK1 (aa 866-1154) JAK1/JAK2/TYK2 JAK1/TYK2 JAK2 (aa 808-1132) JAK2/TYK2 JAK3 (aa811-1124) JAK3/JAK1 Non-receptor tyrosine-protein kinase TYK2 TYK2 (aa888-1187) Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3	BARICITINIB INCB-028050 LY-3009104 US10112907, Example 00034
BDBM50060417	25	6	2	1	0	0	0	0	5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 2C (5HT2C) Adenosine receptor A1 Alpha-1A adrenergic receptor Aromatase (CYP19) Cytochrome P450 1A Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A D(2) dopamine receptor D(3) dopamine receptor Dopamine receptors; D2 & D4 Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1) Histamine H1 receptor Neuronal acetylcholine receptor subunit alpha-7 Serotonin (5-HT) receptor Serotonin 1d (5-HT1d) receptor Serotonin receptor (2b and 2c) Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	5-Methyl-3,5-dihydro-2H-pyrrolo[2,3-f]indole-1-carboxylic acid pyridin-3-ylamide CHEMBL297784 SB 206553 SB-206553
BDBM50063918	1	33	0	0	0	0	0	0	ADAM17 Collagenase Immunoglobulin epsilon Fc receptor Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) 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
BDBM50065115	5	29	0	0	0	0	0	0	AVPR1A Oxytocin receptor Vasopressin V1a receptor Vasopressin V2 Receptor Vasopressin V2 receptor (V2) Vasopressin receptor	3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-ylcarbonyl)-1-(5-fluoro-2-methylphenylcarboxamido)benzene CHEMBL49429 Lixivaptan N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-5-fluoro-2-methyl-benzamide
BDBM50092081	0	34	0	0	0	0	0	0	ALK tyrosine kinase receptor BDNF/NT-3 growth factors receptor Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor High affinity nerve growth factor receptor Insulin receptor Insulin-like growth factor I receptor Macrophage colony-stimulating factor 1 receptor Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit NT-3 growth factor receptor Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RAF serine/threonine protein kinase SRC Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BMX Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Mer Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor Tie-1 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL3582442
BDBM50092082	0	34	0	0	0	0	0	0	ALK tyrosine kinase receptor BDNF/NT-3 growth factors receptor Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor High affinity nerve growth factor receptor Insulin receptor Insulin-like growth factor I receptor Macrophage colony-stimulating factor 1 receptor Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit NT-3 growth factor receptor Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RAF serine/threonine protein kinase SRC Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BMX Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase Mer Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor Tie-1 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	CHEMBL3582441
BDBM50109461	32	2	0	0	0	0	0	0	Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A2b Adenosine receptor A3	1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea 1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea CHEMBL324735 MRE 3046F20
BDBM50143282	25	0	0	9	0	0	0	0	Acetylcholine receptor Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain Acetylcholine receptor protein alpha/beta/delta/gamma chain Neuronal acetylcholine receptor Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit Neuronal acetylcholine receptor subunit alpha-7	(-)-cytisine (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one (1R,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one (1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one (1S,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one 1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one (cytisine) CHEMBL497939 Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one cytisine
BDBM50174702	0	34	0	0	0	0	0	0	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 2A 5-hydroxytryptamine receptor 2C 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 C-C chemokine receptor type 1 C-C chemokine receptor type 2 C-C chemokine receptor type 3 C-C chemokine receptor type 5 C-C chemokine receptor type 6 (CCR6) D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Dopamine receptors; D2 & D4 Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1/M5 chimeric protein Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor Serotonin receptor (2b and 2c)	(R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide CHEMBL198949
BDBM50179207	0	34	0	0	0	0	0	0	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)	3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine CHEMBL120077 JNJ-10198409
BDBM50203126	2	32	0	0	0	0	0	0	Acetylcholinesterase Butyrylcholinesterase (BChE) Butyrylcholinesterase (BuChE) Cell division protein FtsZ Cholinesterase Neuraminidase Potassium voltage-gated channel subfamily H member 2 Prolyl endopeptidase SUMO/sentrin specific peptidase family member 8 Telomerase reverse transcriptase	3,4-dimethoxy-6,7-dihydro-[1,3]dioxolo[4,5-g]pyrido[2,1-a]isoquinolin-5-ylium 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium 9,10-Dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium chloride 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinolin-7-ylium; chloride BERBERINE Berberinechloride CHEMBL12089 berberine dimer cid_12456
BDBM50231569	34	0	0	0	0	0	0	0	Adrenergic receptor alpha Adrenergic receptor beta Cholecystokinin receptor Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) Dopamine receptor D2 and D3 Dopamine receptors; D1 & D2 Glutamate NMDA receptor; Grin1/Grin2c Glycine receptor alpha-4 chain Histamine H1 receptor Histamine H3 receptor Interleukin-6 receptor alpha chain Kappa-type opioid receptor Leukotriene B4 receptor 1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic receptor M1 and M2 Nischarin Nociceptin/mu opioid receptor Opioid receptors; mu & delta Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sigma non-opioid intracellular receptor 1 Thyrotropin-releasing hormone receptor Voltage-gated L-type calcium channel	CILANSETRON Cilansetron KC-9946
BDBM50265079	0	34	0	0	0	0	0	0	A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) Collagenase Cytochrome P450 1A Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase 17 Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Solute carrier family 22 member 8 Stromelysin-1	(4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid) 4-((1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzoic acid 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID CHEMBL496942 MMP Inhibitor, 5
BDBM50277583	23	10	1	0	0	0	0	0	Aurora kinase A Aurora kinase B CDK2/CycE CDK7/Cyclin H/MNAT1 Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 2 (CDK2) Cyclin-Dependent Kinase 7 (CDK7) Cyclin-Dependent Kinase 9 (CDK9) Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent kinase 9 Ferrochelatase R115L (FECH) G1/S-specific cyclin-D1 G1/S-specific cyclin-E1 Glycogen synthase kinase-3 Glycogen synthase kinase-3 beta Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 14 Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Ribosomal protein S6 kinase (P70S6K) Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase PLK1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5 4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine Aminopyrimidine, 9 CHEMBL482967 CYC-116
BDBM50312990	0	1	33	0	0	0	0	0	Aurora kinase A Aurora kinase B CDC2-like kinase 3 (CLK3) CDK7/Cyclin H/MNAT1 Cyclin-Dependent Kinase 5 (CDK5) Cyclin-dependent kinase 19 Cyclin-dependent kinase 2 Cyclin-dependent kinase 3 (CDK3) Cyclin-dependent kinase 8 Cyclin-dependent kinase 9 Dual specificity protein kinase CLK2 Dual specificity protein kinase CLK4 Dual specificity protein kinase TTK Dual specificty protein kinase CLK1 Dual-specificity tyrosine-regulated kinases 1B Extracellular signal-regulated kinase 5 (ERK5) Glycogen synthase kinase-3 Glycogen synthase kinase-3 beta Interferon-induced, double-stranded RNA-activated protein kinase Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 15 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 4 Mitogen-activated protein kinase 6 Protein kinase C alpha type Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase PCTAIRE-1 Serine/threonine-protein kinase PCTAIRE-2 Serine/threonine-protein kinase PCTAIRE-3 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK3 Serine/threonine-protein kinase PLK4 Tyrosine-protein kinase STK16 (STK16)	(R,S)-3-(3-(2,3-dihydroxypropylamino)phenyl)-4-(5-fluoro-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione CHEMBL1082152
BDBM50346918	1	33	0	0	0	0	0	0	ALK tyrosine kinase receptor Aurora kinase A Casein kinase I isoform alpha Cyclin-dependent kinase 2 Dual specificity mitogen-activated protein kinase kinase 1 Dual specificity mitogen-activated protein kinase kinase 4 Dual specificity mitogen-activated protein kinase kinase 6 Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7) Epidermal growth factor receptor Inhibitor of NF-kappa-B kinase (IKK) MAP kinase p38 MAP kinase-activated protein kinase 2 MAP kinase-activated protein kinase 3 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 9 Rho-associated protein kinase 2 Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase MST2 Serine/threonine-protein kinase PLK3 Serine/threonine-protein kinase TBK1 Tyrosine- and threonine-specific cdc2-inhibitory kinase Tyrosine-protein kinase BTK Tyrosine-protein kinase Lyn Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 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	CHEMBL1738710
BDBM50430289	0	34	0	0	0	0	0	0	Aurora kinase B Dual specificity mitogen-activated protein kinase kinase 1 Focal adhesion kinase 1 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 2 Mitogen-activated protein kinase kinase kinase 9 (MLK1) Mitogen-activated protein kinase kinase kinase kinase 4 Myosin light chain kinase, smooth muscle PTK2B protein tyrosine kinase 2 beta (PTK2B) Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase AKT1 Receptor tyrosine-protein kinase erbB-2 SRC Serine/threonine-protein kinase CHK2 Tyrosine-protein kinase Yes	CHEMBL2333445
BDBM50440018	0	0	34	0	0	0	0	0	CDK7/Cyclin H/MNAT1 CaM kinase I alpha CaM kinase I delta CaM kinase I gamma Chaperone activity of bc1 complex-like, mitochondrial Citron Rho-interacting kinase Cyclin-dependent kinase 11A Death-associated protein kinase 1 Death-associated protein kinase 2 Death-associated protein kinase 3 Dual specificity mitogen-activated protein kinase kinase 4 Dual specificity mitogen-activated protein kinase kinase 6 Dual specificity protein kinase TTK Extracellular signal-regulated kinase 5 (ERK5) Interferon-induced, double-stranded RNA-activated protein kinase LIM domain kinase 1 LIM domain kinase 2 MAP kinase-interacting serine/threonine-protein kinase 1 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 15 Mitogen-activated protein kinase 4 Mitogen-activated protein kinase 6 Myosin light chain kinase family member 4 NUAK family SNF1-like kinase 2 PITSLRE serine/threonine-protein kinase CDC2L1 Platelet-derived growth factor receptor beta Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase 17A Serine/threonine-protein kinase DCLK3 Serine/threonine-protein kinase NEK7 Serine/threonine-protein kinase Nek1 Serine/threonine-protein kinase Nek5 Tyrosine-protein kinase STK16 (STK16) Uncharacterized aarF domain-containing protein kinase 4	CHEMBL2425628
BDBM7457	3	28	0	3	0	0	0	0	1-deoxy-D-xylulose 5-phosphate reductoisomerase 12-Lipoxygenase (12-LOX) 15-Lipoxygenase-2 (15-LOX-2) 17-beta-hydroxysteroid dehydrogenase type 3 3-oxoacyl-acyl-carrier protein reductase Acetylcholinesterase Arachidonate 15-lipoxygenase Aurora kinase B Cholinesterase Cruzipain Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-Dependent Kinase 6 (CDK6) Cyclin-dependent kinase 2 DNA Gyrase Dipeptidyl peptidase III Enoyl-acyl-carrier protein reductase Fatty acid synthase Glycogen Synthase Kinase-3, beta Glyoxalase I Human immunodeficiency virus type 1 integrase Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 14 Serine/threonine-protein kinase PIM Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Xanthine dehydrogenase/oxidase alpha-Amylase mRNA interferase toxin, antitoxin is MazE	2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-4H-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromen-4-one 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-chromone;dihydrate CHEMBL31574 Fisetin (14) Fisetin, 15 fisetin
BDBM82272	32	0	2	0	0	0	0	0	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 2C (5HT2C) ADRB2 Adrenergic receptor alpha-2 Adrenergic receptor beta Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor D(2) dopamine receptor DOPAMINE Serotonin (5-HT) receptor Serotonin 1d (5-HT1d) receptor Serotonin receptor (2b and 2c) Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent serotonin transporter	SB 200646 SB200646a
BDBM83449	23	9	1	1	0	0	0	0	Butyrylcholinesterase Cytochrome P450 2B6 Delta-type opioid receptor Glutamate NMDA receptor; Grin1/Grin2c HTR3A Ionotropic glutamate receptor NMDA 1/2D Muscarinic acetylcholine receptor NMDA receptor subunit 2C (GluN2C) Prolylcarboxypeptidase (PRCP) Sigma non-opioid intracellular receptor 1	1-(1-phenylcyclohexyl)piperidine;hydrochloride MLS002320664 PCP PCP hydrochloride PHENCYCLIDINE Phencyclidine hydrochloride SMR001338811 cid_9795678