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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
BDBM10874	Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 9 Carbonic anhydrase, alpha family	57	1	0	0	0	0	0	0	6-hydroxy-1,3-benzothiazole-2-sulfonamide CHEMBL6685 aromatic/heteroaromatic sulfonamide 19
BDBM10879	Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family	44	2	0	0	0	0	0	0	2-Hydrazinobenzenesulfonamide 2-hydrazinylbenzene-1-sulfonamide CHEMBL176495 aromatic/heteroaromatic sulfonamide 24 hydrazide deriv. 18
BDBM15336	Adenosine A1 receptor Adenosine A2 receptor Adenosine A2a receptor Adenosine Receptors A2a (A2a) Adenosine receptor Adenosine receptor A1 Adenosine receptor A2a Homo sapiens phosphodiesterase 2A (PDE2A) Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 9A Phosphodiesterase Type 3 (PDE3B) Phosphodiesterase Type 5 (PDE5A) Phosphodiesterase Type 5 (PDE5A) Mutant (del 661-681) Phosphodiesterase Type 5 (PDE5A) Mutant (del 663-678) cAMP-specific 3',5'-cyclic phosphodiesterase 4B cGMP-specific 3',5'-cyclic phosphodiesterase	26	13	1	0	0	0	0	0	1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione 1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione 3-Isobutyl-1-methylxanthine CHEMBL275084 IBMX isobutylmethylxanthine
BDBM17015	3-phosphoinositide dependent protein kinase-1 6His.FMS.538-922(FGFR) ALK tyrosine kinase receptor Epidermal growth factor receptor Insulin-like growth factor I receptor Macrophage colony-stimulating factor 1 receptor (aa 538-972) Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase receptor Ret Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase 17B (STK17B) Serine/threonine-protein kinase SRPK1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 cFMS -Tie-2 Chimera	0	15	2	0	0	0	0	0	(3Z)-3-(1H-pyrrol-2-ylmethylidene)-2,3-dihydro-1H-indol-2-one CHEMBL86755 Indolinone based inhibitor, 1 Oxindole I
BDBM191599	Homo sapiens lysine demethylase 2A (KDM2A) Lysine-specific demethylase 3A Lysine-specific demethylase 4A (KDM4A) Lysine-specific demethylase 4C Lysine-specific demethylase 5A Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag) Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP) Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S)) Lysine-specific demethylase 5B Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP) Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP) Lysine-specific demethylase 5C Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP) Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP) Lysine-specific demethylase 5D (KDM5D) Lysine-specific demethylase 6A Lysine-specific demethylase 6B	0	23	2	0	0	0	0	0	KDOAM-21 ethyl 2-(((2-((2-(dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinate (KDM5-C70)
BDBM207992	Acyl-protein thioesterase 1 Acyl-protein thioesterase 1 (APT1 I75L) Acyl-protein thioesterase 1 (APT1 I75L/S82A) Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P) Acyl-protein thioesterase 1 (APT1 I75L/S82A/Q83P/R149H/A150R/S151A) Acyl-protein thioesterase 1 (APT1 L176M) Acyl-protein thioesterase 1 (APT1 Q83P) Acyl-protein thioesterase 2 Acyl-protein thioesterase 2 (APT2 H152R) Acyl-protein thioesterase 2 (APT2 L78I) Acyl-protein thioesterase 2 (APT2 L78I/A85S) Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q) Acyl-protein thioesterase 2 (APT2 L78I/A85S/P86Q/H152R/R153A/A154S) Acyl-protein thioesterase 2 (APT2 M178L) Acyl-protein thioesterase 2 (APT2 P86Q) Acyl-protein thioesterase 2 (APT2 S122A) Pyridoxal kinase	18	4	2	0	0	0	0	0	ML349
BDBM22774	Acetylcholinesterase Acyl-CoA: cholesterol acyltransferase (ACAT) Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Carbon monoxide dehydrogenase (CODH) Carboxylesterase 1 Caspase-1 Cholinesterases DNA dC->dU-editing enzyme APOBEC-3G Dihydroorotate dehydrogenase Dihydroorotate dehydrogenase (quinone), mitochondrial Dual specificity phosphatase Cdc25B Dual specificity protein phosphatase 1 Factor XIIa Indoleamine 2,3-dioxygenase MDM2-MDMX MKP-3	7	10	1	0	0	0	1	0	1,4-Benzoquinone Benzil-related compound, 53 CHEMBL8320 benzoquinone cid_4650 cyclohexa-2,5-diene-1,4-dione
BDBM23418	3C-like proteinase (3CL-PRO) Acetylcholinesterase Alpha-amylase Alpha-glucosidase MAL62 Axin-1/Glycogen synthase kinase-3 beta Butyrylcholinesterase (BChE) Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Cytochrome P450 1A Cytochrome P450 1A1 Cytochrome P450 1B1 Dipeptidyl peptidase 4 Lysine-specific histone demethylase 1A Mitogen-activated protein kinase 14	5	12	1	0	0	0	1	0	(2S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one Hesperetin Hesperitin
BDBM25400	ADORA1 ADORA3 Adenosine A1 receptor Adenosine A2 receptor Adenosine A2a receptor Adenosine Receptors A2a (A2a) Adenosine receptor Adenosine receptor A1 Adenosine receptor A1 (A1) Adenosine receptor A2a Adenosine receptor A2a and A3 Adenosine receptor A2b Adenosine receptor A3 Equilibrative Nucleoside Transporter 1 (ENT1) Genome polyprotein Glyceraldehyde-3-phosphate dehydrogenase liver Phosphoglycerate kinase 1	146	15	0	12	0	0	0	0	(2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol CHEMBL68738 CPA N6-CyclopentylAdo N6-cyclopentyladenosine (CPA) cid_657378
BDBM25524	Acetylcholinesterase Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Apoptosis regulator Bcl-2 Aromatic-L-amino-acid decarboxylase BCL-W Bcl-2-like protein 1 Butyrylcholinesterase (BuChE) Cell division control protein 42 homolog Cholinesterases Peroxisome proliferator-activated receptor Protein kinase C alpha Protein kinase C, epsilon Ras-related C3 botulinum toxin substrate 1/T-lymphoma invasion and metastasis-inducing protein 1 Reverse transcriptase Sarcoplasmic/endoplasmic reticulum calcium ATP-ase Sarcoplasmic/endoplasmic reticulum calcium ATPase 1	8	15	0	0	0	0	0	0	17,18-dimethoxy-21-methyl-5,7-dioxa-21-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{14,19}]henicosa-1(13),2,4(8),9,11,14(19),15,17,20-nonaen-21-ium CHEMBL13045 CHEMBL258893 Chelerytherine Toddalin chelerythrine
BDBM25897	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Hematopoietic protein-tyrosine phosphatase (HEPTP) Multidrug resistance-associated protein 4	12	6	0	0	0	0	0	0	1,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide BMCL182567 Compound 6b Diuredemina Glomerulin Hydroflumethiazide cid_3647
BDBM25903	Bile salt export pump Canalicular multispecific organic anion transporter 2 Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Multidrug resistance-associated protein 4 Solute carrier family 22 member 6 electroneutral potassium-chloride cotransporter KCC2	13	5	0	2	0	0	0	0	3-(butylamino)-4-phenoxy-5-sulfamoylbenzoic acid Bumetanide Bumex Burinex Fordiuran cid_2471
BDBM26145	Cytoplasmic tyrosine-protein kinase BMX Ephrin receptor Ephrin type-A receptor 1 (EPHA1) Ephrin type-A receptor 2 Ephrin type-A receptor 3 (EPHA3) Ephrin type-B receptor 2 Ephrin type-B receptor 3 (EPHB3) Lck Tyrosine-protein kinase BRK Tyrosine-protein kinase Blk Tyrosine-protein kinase CSK Tyrosine-protein kinase Fgr Tyrosine-protein kinase Fyn Tyrosine-protein kinase TXK Tyrosine-protein kinase Yes Tyrosine-protein kinase receptor TYRO3 Uncharacterized aarF domain-containing protein kinase 4	0	1	18	0	0	0	0	0	2,4-dianilino pyrimidine, 2 3-({4-[(5-hydroxy-2-methylphenyl)amino]pyrimidin-2-yl}amino)benzamide CHEMBL249097
BDBM26190	Acetylcholinesterase 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 Procollagen-proline,2-oxoglutarate-4-dioxygenase Tyrosinase	22	15	0	0	0	0	0	1	1,4-Dihydroxybenzene, XIII 1,4-dihydroxybenzene CHEMBL537 Hydroquinone (9) Hydroquinone, HQ benzene-1,4-diol phenol derivative, 4
BDBM26267	GABA A Alpha2Beta1Gamma2 GABA A Alpha4Beta2Gamma2 GABA A receptor alpha-3/beta-2/gamma-2 GABA A receptor alpha-6/beta-2/gamma-2 GABA receptor alpha-1/beta-3/gamma-2 subunit GABA receptor alpha-2/beta-2/gamma-2 subunit GABA receptor alpha-2/beta-3/gamma-2 subunit GABA receptor alpha-3/beta-2/gamma-2 subunit GABA receptor alpha-3/beta-3/gamma-2 subunit GABA receptor alpha-5/beta-3/gamma-2 subunit GABA receptor alpha-6/beta-3/gamma-2 subunit GABA-A receptor; alpha-1/beta-2/gamma-2 GABAA Receptor, alpha-4, beta-2, gamma-2 GABAA Receptor, alpha-6, beta-2, gamma-2 Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4 Gamma-aminobutyric acid receptor subunit alpha-1 Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))	35	0	0	1	0	0	0	0	RO-154513 Ro15-4513 [3H]Ro15-4513 ethyl 12-azido-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
BDBM267935	1,3-beta-glucan synthase component GLS2 Cytoplasmic tyrosine-protein kinase BMX Proto-oncogene tyrosine-protein kinase Src Receptor protein-tyrosine kinase erbB-4 SRC Tyrosine-protein kinase BRK Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase CSK Tyrosine-protein kinase FRK Tyrosine-protein kinase Fgr Tyrosine-protein kinase Fyn Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase TEC Tyrosine-protein kinase TXK Tyrosine-protein kinase Yes	0	19	0	0	0	0	0	0	4-{8-amino-3-[(2R)-4-oxetan-3-ylmorpholin-2-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide US9718828, Example, 551
BDBM267959	1,3-beta-glucan synthase component GLS2 Cytoplasmic tyrosine-protein kinase BMX Proto-oncogene tyrosine-protein kinase Src Receptor protein-tyrosine kinase erbB-4 SRC Tyrosine-protein kinase BRK Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase CSK Tyrosine-protein kinase FRK Tyrosine-protein kinase Fgr Tyrosine-protein kinase Fyn Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase TEC Tyrosine-protein kinase TXK Tyrosine-protein kinase Yes	0	19	0	0	0	0	0	0	4-(8-amino-3-{(3R)-1-[(3-methyloxetan-3-yl)carbonyl]azepan-3-yl}imidazo[1,5-a]pyrazin-1-yl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide US9718828, Example, 575
BDBM26978	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase VA Carbonic Anhydrase XIII Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Gamma-carbonic anhydrase	55	0	0	0	0	0	0	0	BDBM50098540 CHEMBL1362 CHEMBL1528 CHEMBL1644027 F- fluoride fluoride ion
BDBM26986	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase VA Carbonic Anhydrase XIII Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Gamma-carbonic anhydrase	80	0	0	0	0	0	0	0	CHEMBL363707 HCO3- SODIUM BICARBONATE bicarbonate ion hydrogen carbonate
BDBM26990	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase XIII Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Gamma-carbonic anhydrase	60	0	0	0	0	0	0	0	CHEMBL1644699 CHEMBL38703 HS anion HS(-1) hydrogen(sulfide)(-1) hydrosulfide sulfanide
BDBM26992	α-Carbonic anhydrase (αCA) β-Carbonic anhydrase (βCA) Alpha carbonic anhydrase Alpha-carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonic Anhydrase VA Carbonic Anhydrase XIII Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Gamma-carbonic anhydrase	56	0	0	0	0	0	0	0	CHEMBL183495 SO4(2-) SODIUM SULFATE sulfate sulfate ion
BDBM29135	5-hydroxytryptamine receptor 3A Alpha-1A adrenergic receptor Beta-secretase 1 D(1A) dopamine receptor D(2) dopamine receptor D(4) dopamine receptor G-protein subunit alpha-16 Norepinephrine transporter Opioid receptor Phenylethanolamine N-methyltransferase Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter TRAR1 Trace amine-associated receptor 1 (TAAR1) TyR1 trace amine-associated receptor 1	11	2	2	7	0	0	0	0	CHEMBL11608 cid_5610 p-Tyramine tyramine
BDBM30705	1,3-beta-glucan synthase component GLS2 5-hydroxytryptamine receptor 1A Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A Dihydrofolate reductase Multidrug resistance-associated protein 4 Pteridine reductase 1 Sodium channel protein type 2 alpha subunit Sodium channel protein type II alpha subunit Twik-RElated Potassium (K+) channel 1 (TREK1) Uridine-5'-diphosphoglucuronosyltransferase 1A1	1	18	0	2	0	0	0	0	CHEMBL744 MLS000069369 RILUZOLE SMR000058231 cid_5070
BDBM31756	DNA dC->dU-editing enzyme APOBEC-3G Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Gag-Pol polyprotein Glyceraldehyde-3-phosphate dehydrogenase liver Heat Shock 70kDa Protein 1 Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP Hematopoietic protein-tyrosine phosphatase (HEPTP) Induced myeloid leukemia cell differentiation protein Mcl-1 MKP-3 POsterior Segregation family member (pos-1) RecName: Full=Zinc finger protein mex-5 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 heat shock 70kDa protein 8 isoform 2 large T antigen nuclear receptor subfamily 4, group A, member 1 probable DNA dC->dU-editing enzyme APOBEC-3A	0	30	0	2	0	0	0	0	6,7-dimethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid MLS-0007635.0001 cid_646406
BDBM36880	10 kDa chaperonin 60 kDa chaperonin Adrenergic Alpha Estradiol receptor beta (ERβ) Estrogen receptor HSP60/HSP10 Induced myeloid leukemia cell differentiation protein Mcl-1 Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Nuclear receptor subfamily 1 group I member 2 Papain-like protease (PLpro) Solute carrier family 22 member 2 Solute carrier family 22 member 3 Sphingosine 1-phosphate receptor 1 Thiosulfate sulfurtransferase Zinc aminopeptidase large T antigen	0	18	0	5	0	0	0	0	2,2'-THIOBIS(4,6-DICHLOROPHENOL) 2,4-dichloro-6-(3,5-dichloro-2-hydroxyphenyl)sulfanylphenol 2,4-dichloro-6-[(3,5-dichloro-2-hydroxy-phenyl)thio]phenol 2,4-dichloro-6-[(3,5-dichloro-2-hydroxyphenyl)thio]phenol 2-[3,5-bis(chloranyl)-2-oxidanyl-phenyl]sulfanyl-4,6-bis(chloranyl)phenol Bithionol HL-3 MLS000028403 SMR000058374 cid_2406
BDBM378887	B-RAF V600E Cytoplasmic tyrosine-protein kinase BMX Discoidin domain-containing receptor 2 Ephrin receptor Epithelial discoidin domain-containing receptor 1 Platelet-derived growth factor receptor Proto-oncogene tyrosine-protein kinase Src (T341M) Proto-oncogene tyrosine-protein kinase Src (aa 1-530) RAF proto-oncogene serine/threonine-protein kinase Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase B-raf TAK1/TAB1 Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase Fyn Tyrosine-protein kinase Yes Vascular endothelial growth factor receptor 2	0	19	0	0	0	0	0	0	US10266537, Compound 31
BDBM4626	Angiopoietin-1 receptor Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Cyclin-Dependent Kinase 5 (CDK5) Dual specificty protein kinase CLK1 Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A Ephrin type-B receptor 4 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Fructose-1,6-bisphosphatase Fructose-1,6-bisphosphatase 1 (FBPase) Insulin receptor Platelet-derived growth factor receptor beta Receptor tyrosine-protein kinase erbB-2 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 3	0	31	0	0	0	0	0	0	Anilinoquinazoline deriv. 9 CHEMBL301018 N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
BDBM50000483	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 3A D(2) dopamine receptor Integrin alpha-5/Neuronal acetylcholine receptor subunit alpha-3/Neuronal acetylcholine receptor subunit beta-2/Neuronal acetylcholine receptor subunit beta-4 Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Neuronal acetylcholine receptor Alpha-4/Beta-2 Neuronal nicotinic acetylcholine receptor Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin 3 receptor (5HT3) Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor Serotonin 4 (5-HT4) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Solute carrier family 22 member 2	26	10	2	0	0	0	0	0	(BRL 43694)1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide (granisetron)1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide 1-Methyl-1H-indazole-3-carboxylic acid (8-methyl-8-aza-bicyclo[3.2.1]oct-3-yl)-amide 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(BRL 43694) 1-Methyl-1H-indazole-3-carboxylic acid (9-methyl-9-aza-bicyclo[3.3.1]non-3-yl)-amide(Granisetron) 1-methyl-N-((1S,5R)-9-methyl-9-aza-bicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide 2-(9-Methyl-3,9-diaza-bicyclo[3.3.1]non-3-yl)-1-(1-methyl-1H-indol-3-yl)-ethanone(Granisetron) BRL 43694 BRL-43694 CHEMBL519643 GRANISETRON LY-278584
BDBM50007548	GRM7 GRM8 Glutamate receptor ionotropic, NMDA 1 Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 Metabotropic glutamate receptor 4 Metabotropic glutamate receptor 4 (mGlu4) Metabotropic glutamate receptor 4 (mGluR4) Metabotropic glutamate receptor 5 Metabotropic glutamate receptor 6 Metabotropic glutamate receptor 6 (mGlu6) Metabotropic glutamate receptor 7 Metabotropic glutamate receptor 7 (mGlu7) Metabotropic glutamate receptor 8 Metabotropic glutamate receptor 8 (mGlu8)	21	0	0	76	0	0	0	0	(S)-2-Amino-4-phosphono-butyric acid (S)-2-amino-4-phosphonobutanoic acid 2-Amino-3-(3,5-dioxo-[1,2,4]oxadiazolidin-2-yl)-propionic acid 2-Amino-4-phosphono-butyric acid 2-Amino-4-phosphono-butyric acid(S-AP4) 2-amino-4-phosphonobutanoic acid 2-amino-4-phosphonobutyric acid CHEMBL33567 L-(+)-2-amino-4-phosphonobutyric acid L-1-amino-4-phosphonobutanoic acid L-AP4 L-APB
BDBM50009353	Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV 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 DNA topoisomerase II Glutamate receptor ionotropic, NMDA 1 Ornithine decarboxylase Phosphodiesterase 1	16	2	0	0	0	0	0	0	1,5,10-triazadecane 4-azaoctamethylenediamine 4-azaoctane-1,8-diamine CHEMBL19612 N-(3-aminopropyl)butane-1,4-diamine spermidine
BDBM50012070	10 kDa chaperonin 60 kDa chaperonin Amine oxidase (flavin-containing) A Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7) Dual specificity phosphatase Cdc25A Dual specificity phosphatase Cdc25B HIF1A/p300/CREB-binding protein HSP60/HSP10 Histone acetyltransferase KAT2A/KAT2B Histone acetyltransferase PCAF Histone acetyltransferase p300 Mitogen-activated protein kinase kinase kinase 14 Monoamine oxidase B (MAO-B) Receptor tyrosine-protein kinase erbB-2 Thiosulfate sulfurtransferase Transient receptor potential cation channel subfamily A member 1 Trypanothione reductase	0	20	1	2	0	0	0	0	5-Hydroxy-2-methyl-[1,4]naphthoquinone 5-hydroxy-2-methylnaphthalene-1,4-dione CHEMBL295316 Plumbagin (6b) Pumbagin plumbagin
BDBM50012278	Beta tubulin Bile salt export pump (BSEP) Cytochrome P450 3A Monoamine oxidase Multidrug resistance protein 1/Multidrug resistance associated protein 1 Multidrug resistance-associated protein 2 (MRP2) P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Reverse transcriptase Similar to alpha-tubulin isoform 1 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) Steroidogenic Factor 1 Tubulin Tubulin beta chain nuclear receptor subfamily 0 group B member 1	11	36	1	2	0	0	0	0	(2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE CHEMBL159 VINBLASTINE VINBLASTINE SULFATE cid_5388983
BDBM50017662	Bile salt export pump Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug and toxin extrusion protein 1 Multidrug resistance-associated protein 4 Potassium channel protein TASK-1 Potassium channel subfamily K member 18 Potassium voltage-gated channel subfamily D member 2 Potassium voltage-gated channel subfamily H member 2 Sodium channel alpha subunit Sodium channel protein type 5 subunit alpha Sodium channel protein type 9 subunit alpha Sodium channel protein type I I alpha subunit Twik-RElated Potassium (K+) channel 1 (TREK1) Voltage-gated L-type calcium channel alpha-1C subunit Voltage-gated potassium channel subunit Kv1.5	0	21	0	0	0	0	0	1	2-(Diethylamino)-2',6'-acetoxylidide 2-(Diethylamino)-N-(2,6-dimethylphenyl)acetamide CHEMBL79 Dalcaine LIDOCAINE Lignocaine N-(2,6-dimethylphenyl)-N(2),N(2)-diethylglycinamide Octocaine SAMPL3, G5
BDBM50017679	10 kDa chaperonin 60 kDa chaperonin Adrenergic Alpha Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-2B adrenergic receptor Beta-2 adrenergic receptor Bile salt export pump D(2) dopamine receptor DRD1 Dopamine receptor HSP60/HSP10 Serotonin (5-HT) receptor Sodium channel protein type I I alpha subunit Solute carrier family 22 member 2 Solute carrier family 22 member 3 Thiosulfate sulfurtransferase	11	11	0	0	0	0	0	0	Benzyl-(2-chloro-ethyl)-(1-methyl-2-phenoxy-ethyl)-amine CHEMBL753 Dibenzyline PHENOXYBENZAMINE
BDBM50027536	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Human herpesvirus 1 DNA polymerase Human immunodeficiency virus type 1 reverse transcriptase Multidrug resistance-associated protein 4	14	7	0	0	0	0	0	0	(phosphonoformate)Trisodium phosphonoformate Antiviral agent : Inhibitor of reverse transcriptase of Human T-cell lymphotropic, virus type III, useful in the treatment of HSV-1 infections CHEMBL754 EHB-776 FOSCARNET SODIUM Foscarnet Foscavir phosphonoformate trisodium salt trisodium dioxidophosphinecarboxylate oxide trisodium dioxidophosphinecarboxylate oxide with 6 molecules of water(foscarnet) trisodium phosphonoformate
BDBM50031747	Axin-1/Glycogen synthase kinase-3 beta Cyclin-dependent kinase 2 Fibroblast growth factor receptor 3 Inhibitor of nuclear factor kappa-B kinase subunit beta MAP kinase-activated protein kinase 5 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase kinase kinase 7 Non-receptor tyrosine-protein kinase TYK2 PTK2B protein tyrosine kinase 2 beta (PTK2B) Rho-associated protein kinase 1 Serine/threonine-protein kinase RIPK2 Serine/threonine-protein kinase TBK1 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK	0	17	0	0	0	0	0	0	CHEMBL3360318
BDBM50033113	Adrenergic alpha1B Adrenergic receptor alpha-2 Alpha adrenergic receptor 1A and 1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Bile salt export pump Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cerebral cortex alpha adrenergic receptor Multidrug resistance-associated protein 4 Serotonin (5-HT) receptor adrenergic Alpha2	18	6	0	0	0	0	0	0	CHEMBL279516 INDORAMIN INDORAMINE INDORAMINN-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide (Indoramin) N-{1-[2-(1H-Indol-3-yl)-ethyl]-piperidin-4-yl}-benzamide(indoramin)
BDBM50035622	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 PTGFR Prostaglandin E2 receptor Prostaglandin E2 receptor EP1 subtype (EP1) Prostaglandin E2 receptor EP2 subtype Prostaglandin E2 receptor EP4 subtype Prostaglandin F2-alpha receptor Prostaglandin Transporter Prostaglandin transporter (PGT) Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor Solute carrier organic anion transporter family member 2A1 Solute carrier organic anion transporter family member 2B1	6	24	0	7	0	0	0	0	(5Z,13E,15S)-9alpha,11alpha,15-trihydroxyprosta-5,13-dien-1-oic acid CHEMBL815 DINOPROST PGF2alpha l-PGF2-alpha l-Prostaglandin F2-alpha prostaglandin F2alpha
BDBM50038002	Acrosin Coagulation factor III/Factor VIIa (fVIIa) Coagulation factor X Coagulation factor XI Complement C1s Glutamate delta 2 Kallikrein 5 Matriptase Plasminogen Prothrombin Thrombin Thrombin & trypsin Tissue-type plasminogen activator Trypsin Trypsin II Trypsin-1 Urokinase-type plasminogen activator	28	2	4	0	0	0	0	0	Benzamidine (Protonated) CHEMBL20936 CHEMBL537204 benzamidine
BDBM50049400	72 kDa type IV collagenase Adenosine receptor A3 Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 7 Collagenase 3 Glycogen phosphorylase, muscle form Lymphocyte differentiation antigen CD38 Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-9 P-glycoprotein (P-gp) Stromelysin-1 Tyrosine-protein kinase receptor FLT3 Urease subunit beta Xanthine dehydrogenase/oxidase	7	11	1	0	0	0	0	0	(+/-) taxifolin (+/-)-Dihydroquercetin (+/-)-taxifolin (2R,3R)-2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one (2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one 2-(3,4-Dihydroxy-phenyl)-3,5,7-trihydroxy-chroman-4-one 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychroman-4-one 3,5,7,3',4'-pentahydroxyflavanone CHEMBL337309 NSC-2801
BDBM50067513	Cyclin-dependent kinase 2 Glycogen synthase kinase-3 Hepatocyte growth factor receptor Interleukin-1 receptor-associated kinase 4 Mitogen-activated protein kinase 10 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Proto-oncogene tyrosine-protein kinase Src Rho-associated protein kinase 2/Rho-kinase (ROCK I) Serine/threonine-protein kinase PLK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 cAMP-dependent protein kinase (PKA)	17	0	0	0	0	0	0	0	CHEMBL3401977
BDBM50067514	Cyclin-dependent kinase 2 Glycogen synthase kinase-3 Hepatocyte growth factor receptor Interleukin-1 receptor-associated kinase 4 Mitogen-activated protein kinase 10 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform Proto-oncogene tyrosine-protein kinase Src Rho-associated protein kinase 2/Rho-kinase (ROCK I) Serine/threonine-protein kinase PLK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 cAMP-dependent protein kinase (PKA)	17	0	0	0	0

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