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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 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 9 Carbonic anhydrase, alpha family	54	1	0	0	0	0	0	0	6-hydroxy-1,3-benzothiazole-2-sulfonamide CHEMBL6685 aromatic/heteroaromatic sulfonamide 19
BDBM11318	Accessory gene regulator protein A Aldose reductase (AR) Casein Kinase II Casein kinase II alpha Epoxide hydratase Estradiol receptor beta (ERβ) Estrogen receptor Human rhinovirus A protease Leukocyte elastase Protein-tyrosine phosphatase 4A3 Purinergic receptor P2Y12 Serine/threonine-protein kinase PIM Sialidase 2 Tyrosine-protein kinase Lck beta-Hydroxyacyl-acyl carrier protein dehydratase (FtFabZ) beta-Hydroxyacyl-acyl carrier protein dehydratase (YpFabZ)	6	17	0	0	0	0	0	0	1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione 1,3,8-trihydroxy-6-methylanthra-9,10-quinone CHEMBL289277 Emodin
BDBM13934	HIV-1 Protease AE HIV-1 Protease AE Mutant (V82F) HIV-1 Protease AE-P HIV-1 Protease AE-P Mutant (F82V) HIV-1 Protease B Subtype HIV-1 Protease B Subtype Mutant (V82F) HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A) HIV-1 Protease Mutant M2 (D30N, L63P, N88D) HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M) Human immunodeficiency virus type 1 protease Human immunodeficiency virus type 1 reverse transcriptase P-glycoprotein 1 Protease Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) Solute carrier organic anion transporter family member 2B1	13	6	1	0	0	0	0	0	Atazanavir BMS 232632 CGP 73547 CHEMBL1163 Latazanavir methyl N-[(1S)-1-[[(2S,3S)-3-hydroxy-4-[[[(2S)-2-(methoxycarbonylamino)-3,3-dimethyl-butanoyl]amino]-[(4-pyridin-2-ylphenyl)methyl]amino]-1-phenyl-butan-2-yl]carbamoyl]-2,2-dimethyl-propyl]carbamate methyl N-[(1S)-1-{[(2S,3S)-3-hydroxy-4-[(2S)-2-[(methoxycarbonyl)amino]-3,3-dimethyl-N'-{[4-(pyridin-2-yl)phenyl]methyl}butanehydrazido]-1-phenylbutan-2-yl]carbamoyl}-2,2-dimethylpropyl]carbamate
BDBM17015	3-phosphoinositide dependent protein kinase-1 ALK tyrosine kinase receptor Epidermal growth factor receptor Insulin-like growth factor I receptor Macrophage colony-stimulating factor 1 receptor 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 and tyrosine-protein kinase TIE-2 (KDR and TIE2) 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
BDBM17636	17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) Acid-sensing ion channel 5 Aldo-keto reductase family 1 member C1 Aldo-keto reductase family 1 member C2 Aldo-keto reductase family 1 member C4 (AK1C4) Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase (AR) Androgen Receptor Cyclooxygenase Cyclooxygenase-1 (COX-1) Intestinal fatty acid-binding protein (hIFABP) Myeloperoxidase (MPO) Potassium channel subfamily K member 18 Transcription factor SOX-18 (SOX-18) Transthyretin Twik-RElated Potassium (K+) channel 1 (TREK1)	3	31	0	5	0	0	0	0	2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid Arlef CHEMBL23588 Flufenamic acid Nichisedan US9271961, Flufenamic Acid
BDBM194639	A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) Collagenase Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase (1 and 13) Matrix metalloproteinase (2 and 3) Matrix metalloproteinase 12 Matrix metalloproteinase 14 Matrix metalloproteinase 2/9 Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) Stromelysin-1	0	22	0	0	0	0	0	0	US9206139, 2
BDBM194644	A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) Collagenase Matrix Metalloproteinase-8 (MMP-8) Matrix metalloproteinase (1 and 13) Matrix metalloproteinase (2 and 3) Matrix metalloproteinase 12 Matrix metalloproteinase 14 Matrix metalloproteinase 2/9 Matrix metalloproteinase-1 (MMP1) Matrix metalloproteinase-12 (MMP12) Matrix metalloproteinase-14 (MMP14) Matrix metalloproteinase-7 (MMP7) Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) Metalloproteinase with thrombospondin motifs 5 (ADAMTS-5) Stromelysin-1	0	22	0	0	0	0	0	0	US9206139, 3
BDBM199181	Human diphtheria toxin-like ADP-ribosyltransferase (ARTD10 or PARP10) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD12 or PARP12) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD15 or PARP16) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD2 or PARP2) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD4 or PARP4) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD5 or PARP5a) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD6 or PARP5b) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD7 or PARP15) Human diphtheria toxin-like ADP-ribosyltransferase (ARTD8 or PARP14) Human diphtheria toxin-like ADP-ribosyltransferase (L928Y) (ARTD10 or PARP10(L928Y)) Human diphtheria toxin-like ADP-ribosyltransferase (R931A) (ARTD10 or PARP10(R931A) Human diphtheria toxin-like ADP-ribosyltransferase (S927A) (ARTD10 or PARP10(S927A)) Human diphtheria toxin-like ADP-ribosyltransferase (Y1660L) (ARTD8 or PARP14(Y1660L)) Human diphtheria toxin-like ADP-ribosyltransferase (Y598L) (ARTD7 or PARP15 (Y598L)) Poly [ADP-ribose] polymerase 1	0	16	0	0	0	0	0	0	4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carboxamide (OUL35)
BDBM213827	Dipeptidyl peptidase 9 Dipeptidyl peptidase 9 (DDP9 D301A) Dipeptidyl peptidase 9 (DDP9 E286A) Dipeptidyl peptidase 9 (DDP9 E296A/E297A) Dipeptidyl peptidase 9 (DDP9 H289A) Dipeptidyl peptidase 9 (DDP9 I288A) Dipeptidyl peptidase 9 (DDP9 K299A) Dipeptidyl peptidase 9 (DDP9 L295A) Dipeptidyl peptidase 9 (DDP9 R298A) Dipeptidyl peptidase 9 (DDP9 S292A) Dipeptidyl peptidase 9 (DDP9 V285A) Dipeptidyl peptidase 9 (DDP9 V290A) Dipeptidyl peptidase 9 (DDP9 Y277A) Dipeptidyl peptidase 9 (DDP9 Y303D) Dipeptidyl peptidase 9 (DDP9 Y305A) Dipeptidyl peptidase 9 (DDP9 Y305D)	16	0	0	0	0	0	0	0	E67 interacting loop (EIL) SLRFLFEGQRIADNH
BDBM23971	Aminopeptidase Aminopeptidase B Aminopeptidase N Bacterial leucyl aminopeptidase Collagenase Cystinyl aminopeptidase Cytosol aminopeptidase Dipeptidyl peptidase 4 Gelatinase 2 (MMP-2) HDACs Leucine aminopeptidase Leucyl-cystinyl aminopeptidase Leukotriene A4 hydrolase Oligopeptide transporter small intestine isoform Phospholipase A2, membrane associated Zinc aminopeptidase	16	91	3	0	0	0	0	0	(2S)-2-[(2S,3R)-3-amino-2-hydroxy-4-phenylbutanamido]-4-methylpentanoic acid Bestatin CHEMBL29292 Ubenimex
BDBM25877	GABA A receptor alpha-6/beta-2/gamma-2 GABA receptor alpha-1/beta-2/gamma-2 subunit 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-4/beta-3/gamma-2 subunit GABA receptor alpha-5/beta-3/gamma-2 subunit GABA receptor alpha-6/beta-3/gamma-2 subunit GABAA Receptor, alpha-1, beta-3, gamma-2 GABAA Receptor, alpha-2, beta-3, gamma-2 GABAA Receptor, alpha-3, beta-3, gamma-2 GABAA Receptor, alpha-4, beta-3, gamma-2 GABAA Receptor, alpha-5, beta-3, gamma-2 GABAA Receptor, alpha-6, beta-3, gamma-2	31	0	0	0	0	0	0	0	CHEMBL286594 RY-80, 1 ethyl 12-ethynyl-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(14),3,5,10,12-pentaene-5-carboxylate
BDBM26989	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 Gamma-carbonic anhydrase	55	0	0	0	0	0	0	0	CHEMBL93268 NO2- nitrite nitrite ion
BDBM286984	Fibroblast growth factor receptor Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 1 (FGFR1) Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Macrophage colony-stimulating factor 1 receptor Pancreatic endoplasmic reticulum kinase (PERK) SRC Serine/threonine-protein kinase TAO2 Tyrosine-protein kinase BMX Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lyn VEGF-receptor 2 and Fibroblast growth factor receptor 1 VEGF-receptor 2 and Fibroblast growth factor receptor 2 Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	4	18	0	0	0	0	0	0	8-(3-(4-acryloylpiperazin-1-yl)propyl)-6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-(methylamino)pyrido[2,3-d]pyrimidin-7(8H)-one US9567334, Example 6 US9815834, Compound 6
BDBM28802	1,3-beta-glucan synthase component GLS2 Cytochrome P450 1A Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Glucocorticoid receptor Liver X receptor Peroxisome Proliferator-Activated Receptor alpha Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Retinoid X receptor	0	16	0	16	0	0	0	0	2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}-2-fluorophenyl)methyl](methoxycarbonyl)amino}acetic acid BMS-711939
BDBM29135	5-hydroxytryptamine receptor 3A Alpha-1A adrenergic receptor Beta-secretase 1 D(1A) dopamine receptor D(2) dopamine receptor Dopamine Transporter (DAT) Dopamine receptors; D2 & D4 G-protein subunit alpha-16 Norepinephrine transporter Opioid receptor Phenylethanolamine N-methyltransferase Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Sodium-dependent serotonin transporter TRAR1 Trace amine-associated receptor 1 (TAAR1) trace amine-associated receptor 1	11	2	2	6	0	0	0	0	CHEMBL11608 cid_5610 p-Tyramine tyramine
BDBM31072	5-hydroxytryptamine receptor 1A (5-HT1A) Angiotensin II receptor Apelin receptor Bcl-2-like protein 11 DNA damage-inducible transcript 3 protein Histone acetyltransferase GCN5 Histone acetyltransferase p300 Nuclear receptor ROR-alpha Serotonin (5-HT) receptor Sphingosine 1-phosphate receptor 1 Sphingosine 1-phosphate receptor 3 Steroidogenic Factor 1 Tumor necrosis factor XBP1 nucleotide-binding oligomerization domain containing 1 nucleotide-binding oligomerization domain containing 2	0	19	0	5	0	0	0	0	2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1,3,4-oxadiazole 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-benzothiophene 1,1-dioxide 3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzothiophene 1,1-dioxide MLS000088644 SMR000072650 cid_890649
BDBM31698	DNA (cytosine-5)-methyltransferase 1 (DNMT1) Eph receptor A4 Estradiol receptor beta (ERβ) Focal adhesion kinase 1 G-protein subunit alpha-16 Heat Shock 70kDa Protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) MKP-3 POsterior Segregation family member (pos-1) PTK2B protein tyrosine kinase 2 beta (PTK2B) RecName: Full=Zinc finger protein mex-5 dTDP-4-dehydrorhamnose 3,5-epimerase RmlC heat shock 70kDa protein 8 isoform 1 mothers against decapentaplegic homolog 3 nuclear receptor subfamily 4, group A, member 1 trace amine-associated receptor 1	0	17	0	4	0	0	0	0	3-bromanyl-5-(3,3-dimethylpiperidin-1-yl)carbonyl-pyran-2-one 3-bromo-5-(3,3-dimethylpiperidine-1-carbonyl)pyran-2-one 3-bromo-5-[(3,3-dimethyl-1-piperidinyl)-oxomethyl]-2-pyranone MLS000080954 SMR000044848 cid_664033
BDBM32085	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	0	30	0	4	0	0	0	0	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
BDBM32274	Apoptosis Regulator Bcl-xL Apoptosis regulator Bcl-2 Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). BCL-W Bcl-2-related protein A1 Estradiol receptor beta (ERβ) G protein signalling regulator 19 Induced myeloid leukemia cell differentiation protein Mcl-1 POsterior Segregation family member (pos-1) RGS7 RecName: Full=Zinc finger protein mex-5 Regulator of G-protein signaling 8 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glutathione S-transferase regulator of G-protein signaling 4 regulator of G-protein signalling 16	5	2	0	19	0	0	0	0	2,5-bis(chloranyl)-3-(4-methylpiperazin-1-yl)-6-(2-piperidin-1-yl-1,3-thiazol-5-yl)cyclohexa-2,5-diene-1,4-dione 2,5-dichloro-3-(4-methyl-1-piperazinyl)-6-[2-(1-piperidinyl)-1,3-thiazol-5-yl]benzo-1,4-quinone 2,5-dichloro-3-(4-methyl-1-piperazinyl)-6-[2-(1-piperidinyl)-5-thiazolyl]cyclohexa-2,5-diene-1,4-dione 2,5-dichloro-3-(4-methylpiperazin-1-yl)-6-(2-piperidin-1-yl-1,3-thiazol-5-yl)cyclohexa-2,5-diene-1,4-dione 2,5-dichloro-3-(4-methylpiperazino)-6-(2-piperidinothiazol-5-yl)-p-benzoquinone MLS000548207 SMR000115103 cid_1002249
BDBM32310	Apoptosis Regulator Bcl-xL Apoptosis regulator Bcl-2 Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH). BCL-W BZLF2 Bcl-2-related protein A1 G protein signalling regulator 19 Induced myeloid leukemia cell differentiation protein Mcl-1 NS3 RGS7 Regulator of G-protein signaling 8 TCRAV4S1 lens epithelium-derived growth factor p75 regulator of G-protein signaling 4 regulator of G-protein signalling 16 serum albumin precursor	0	7	0	11	0	0	0	0	MLS000390238 SMR000259502 cid_6311834
BDBM34702	G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) Induced myeloid leukemia cell differentiation protein Mcl-1 MPI protein Multidrug resistance protein 1/Multidrug resistance associated protein 1 POsterior Segregation family member (pos-1) RGS7 RecName: Full=Zinc finger protein mex-5 Regulator of G-protein signaling 8 TCRAV4S1 Trypanosoma brucei RNA editing ligase 1 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase lens epithelium-derived growth factor p75 regulator of G-protein signaling 4 regulator of G-protein signalling 16 serum albumin precursor	5	12	0	13	0	0	0	0	(4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]cyclohexa-2,5-dien-1-one (4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-3-thiazolyl)amino]methylidene]-1-cyclohexa-2,5-dienone (4E)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-4-thiazolin-3-yl)amino]methylene]cyclohexa-2,5-dien-1-one (4E)-4-[[(4-methyl-2-methylimino-1,3-thiazol-3-yl)amino]methylidene]-2,3-bis(oxidanyl)cyclohexa-2,5-dien-1-one (4Z)-2,3-dihydroxy-4-[[(4-methyl-2-methylimino-4-thiazolin-3-yl)amino]methylene]cyclohexa-2,5-dien-1-one MLS000564160 SMR000151701 cid_5834362
BDBM36411	DNA-PK/ p110-delta PI3K-alpha/ p110-delta 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/gamma isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform mTOR/ p110-delta p110δ/p85α p110-delta/ Abl p110-delta/ EGFR p110-delta/ EphB4 p110-delta/ Hck p110-delta/ PDGFR p110-delta/ Src p110-delta/ Src Mutant (T338I) p110-delta/ VEGFR2	0	19	0	0	0	0	0	0	2-((4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one, PIK294 CID24905149 PIK294
BDBM4626	Aurora kinase A 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 (EphB4) Epidermal growth factor receptor Fibroblast growth factor receptor 1 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	0	30	0	0	0	0	0	0	Anilinoquinazoline deriv. 9 CHEMBL301018 N-(3-chloro-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine
BDBM50000541	12-Lipoxygenase (12-LOX) 5-lipoxygenase/FLAP Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Bile salt export pump Bile salt export pump (BSEP) Cyclooxygenase Cyclooxygenase-1 (COX-1) Cytochrome P450 1A Epoxide hydratase LTB4R Leukotriene A4 hydrolase Phospholipase A2, membrane associated Prostaglandin G/H synthase (cyclooxygenase) Thromboxane-A synthase Tumor necrosis factor ligand superfamily member 11	1	101	0	1	0	0	0	0	(+-)-1-(1-Benzo[b]thien-2-ylethyl)-1-hydroxyurea 1-[1-(1-benzothien-2-yl)ethyl]-1-hydroxyurea CHEMBL93 Leutrol N-(1-Benzo(b)thien-2-ylethyl)-N-hydroxyurea N-[1-(benzo[b]thiophen-2-yl)ethyl]-N-hydroxyurea ZILEUTON Zyflo (TN)
BDBM50001862	5-Hydroxytryptamine receptor 6 (5-HT6) Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor DOPAMINE Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor HTR6 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)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor Sigma non-opioid intracellular receptor 1	32	3	0	0	0	0	0	0	(N-(o-methoxyphenyl)piperazine)1-(2-Methoxy-phenyl)-piperazine 1-(2-Methoxy-phenyl)-piperazine 2-METHOXYPHENYLPIPERAZINE 4-(2-Methoxy-phenyl)-piperazin-1-ium CHEMBL9666
BDBM50007548	GRM7 GRM8 Ionotropic glutamate receptor NMDA 1/2D Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 Metabotropic glutamate receptor 3 (mGlu3) 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 (mGlu7) Metabotropic glutamate receptor 8 Metabotropic glutamate receptor 8 (mGlu8)	21	0	0	65	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
BDBM50010231	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 12 Carbonic anhydrase 2 Carbonic anhydrase 2, isoform A Carbonic anhydrase 4 Carbonic anhydrase 7 Carbonic anhydrase 9 Cytochrome P450 2E1 Gamma-carbonic anhydrase	39	1	0	0	0	0	0	0	CHEMBL107217 Ditiocarb sodium Sodium salt of Diethyl-dithiocarbamic acid(DDC) US9180183, DDTC sodium N,N-diethyl-dithiocarbamate sodium diethyldithiocarbamate
BDBM50010686	5-hydroxytryptamine receptor 1A (5HT1A) Adenosine receptor A2b Adenylate cyclase type V Adrenergic receptor alpha Beta-1 adrenergic receptor Beta-2 adrenergic receptor and beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor DOPAMINE Dopamine D1 receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 Serotonin 2a (5-HT2a) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	24	8	4	12	0	0	0	0	(6aR,12bS)-10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium (6aR,12bS)-5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol 10,11-Dihydroxy-5,6,6a,7,8,12b-hexahydro-benzo[a]phenanthridinium(DHX) 5,6,6a,7,8,12b-Hexahydro-benzo[a]phenanthridine-10,11-diol CHEMBL25856 dihydrexidine
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) 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	9	26	1	2	0	0	0	0	(2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE CHEMBL159 VINBLASTINE VINBLASTINE SULFATE cid_5388983
BDBM50014846	Bile salt export pump Cytochrome P450 3A Histone deacetylase 1 Histone deacetylase 2 Histone deacetylase 3 P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Similar to alpha-tubulin isoform 1 Solute carrier family 22 member 3 Steroidogenic Factor 1 Tubulin Tubulin alpha chain /beta chain Tubulin beta chain Tubulin polymerization-promoting protein nuclear receptor subfamily 0 group B member 1	4	35	0	1	0	0	0	0	(S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo[a]heptalen-7-yl)acetamide (S)-colchicine 7alphaH-colchicine CHEMBL107 COLCHICINE N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl]acetamide colchicina colchicinum
BDBM50015184	Arachidonate 5-lipoxygenase Carbonic anhydrase Carbonic anhydrases; II & IX Histone deacetylase 1 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 4 Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 8 Histone deacetylase 9 Indoleamine 2,3-dioxygenase 1 Mandelate racemase (MR) PA/PB1 Stromelysin-1	5	16	1	0	0	0	0	0	BENZHYDROXAMIC ACID BENZOHYDROXAMATE CHEMBL16300 N-Hydroxy-benzamide N-hydroxybenzamide benzoyl hydroxamic acid
BDBM50015639	ALK5 Activin receptor type-1 Activin receptor type-1B Activin receptor-like kinase 3 (ALK-3) Bone morphogenetic protein receptor type-1B (BMPR1B) Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Mitogen-activated protein kinase 14 Potassium voltage-gated channel subfamily H member 2 Serine/threonine-protein kinase RIPK2 Serine/threonine-protein kinase receptor R3 TGF-beta receptor type I Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)	2	20	0	0	0	0	0	0	CHEMBL3260567 USRE47141, Example 2
BDBM50026636	Adenosine receptor A2b Adrenergic alpha1B Adrenergic receptor alpha-2 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 Butyrylcholinesterase (BuChE) Calcium channel Cerebral cortex alpha adrenergic receptor Cholinesterase Sodium-dependent serotonin transporter adrenergic Alpha1 adrenergic Alpha2	32	6	2	0	0	0	0	0	17alpha-hydroxy-20alpha-yohimban-16beta-carboxylic acid methyl ester CHEMBL10347 RAUWOLSCINE HYDROCHLORIDE alpha-yohimbine corynanthidine isoyohimbine mesoyohimbine methyl (16beta,17alpha,20alpha)-17-hydroxyyohimban-16-carboxylate methyl 17alpha-hydroxy-20alpha-yohimban-16beta-carboxylate rauwolscine
BDBM50028066	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 2C Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor CHRM5 D(2) dopamine receptor Dopamine Transporter (DAT) Histamine H1 receptor Monoamine transporters; serotonin & dopamine Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Norepinephrine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	26	0	0	0	0	0	0	0	4-(3,4-Dichloro-phenyl)-1,2,3,4-tetrahydro-naphthalen-1-ylamine, HCl CHEMBL40733 Desmethylsertraline
BDBM50029257	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B Adrenergic alpha1B Adrenergic receptor alpha-1 Alpha adrenergic receptor 1A and 1B Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Dopamine D1B Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Serotonin (5-HT) receptor Serotonin 1B/1D receptor Sigma non-opioid intracellular receptor 1	25	0	0	0	0	0	0	0	(3-((4-(2-isopropoxyphenyl)piperazin-1-yl)methyl)phenyl)(piperidin-1-yl)methanone CHEMBL10085 RWJ-377796 mazapertine {3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-piperidin-1-yl-methanone
BDBM50061567	Cholinergic, Nicotinic Alpha3Beta2 DNA dC->dU-editing enzyme APOBEC-3G 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-2 Neuronal acetylcholine receptor subunit alpha-3 Neuronal acetylcholine receptor subunit alpha-4 Neuronal acetylcholine receptor subunit alpha-7 Neuronal acetylcholine receptor; alpha2/beta2 Nicotinic Alpha-Bungarotoxin n-AChR probable DNA dC->dU-editing enzyme APOBEC-3A	21	2	0	4	0	0	0	0	1,1-Dimethyl-4-phenyl-piperazin-1-ium CHEMBL134752 CHEMBL47814 DMPP cid_5911
BDBM50062551	ATP-binding cassette sub-family G member 2 Cytochrome P450 1A Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Multidrug resistance-associated protein 2 (MRP2) P-glycoprotein 1 Sigma non-opioid intracellular receptor 1 Solute carrier family 22 member 2 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3) Uridine-5'-diphosphoglucuronosyltransferase 1A1	1	28	0	0	0	0	0	0	CHEBI:76010 DOLUTEGRAVIR Dolutegravir GSK1349572 S-349572
BDBM50095027	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Alpha-1A adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor Dopamine D5 receptor Dopamine receptor Dopamine receptors; D2 & D4 HTR6 Histamine H1 receptor KCNQ (Kv7) potassium channel Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sigma non-opioid intracellular receptor 1	35	0	0	0	0	0	0	0	(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol (2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol (M 100907) (2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol(MDL 100907) (R)-(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol (R)-(2,3-Dimethoxy-phenyl)-{1-[2-(4-fluoro-phenyl)-ethyl]-piperidin-4-yl}-methanol (R)-(2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol (R)-(2,3-dimethoxyphenyl)(1-(4-fluorophenethyl)piperidin-4-yl)methanol CHEMBL74355 MDL 100907 MDL-100907
BDBM50100861	3-dehydroquinate synthase Alpha-(1,3)-fucosyltransferase VII Alpha-glucosidase MAL12 Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Cathepsin L1 M18 aspartyl aminopeptidase Procollagen-proline,2-oxoglutarate-4-dioxygenase Xanthine dehydrogenase	13	6	0	0	0	0	0	0	3,4-Dihydroxybenzoate, VIII 3,4-dihydroxybenzoic acid 4,5-Dihydroxybenzoic acid 4-Carboxy-1,2-dihydroxybenzene CHEMBL37537 Protocatechuic acid Protocatechuic acid (M1) Protocatehuic acid cid_72
BDBM50105103	5-Hydroxytryptamine receptor 6 (5-HT6) 5-Hydroxytryptamine receptor 7 (5-HT7) 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 2A Adenosine receptor A3 Adrenergic receptor alpha-1 D(3) dopamine receptor Delta-type opioid receptor Dopamine D5 receptor Dopamine receptors; D2 & D4 Histamine H1 receptor Histamine H2 Receptor Kappa-type opioid receptor Monoamine transporters; serotonin & dopamine Mu-type opioid receptor Voltage-gated L-type calcium channel	0	16	0	0	0	0	0	0	1-{4-[4,4-Bis-(4-fluoro-phenyl)-butyl]-piperazin-1-yl}-3-(4-fluoro-phenyl)-propan-1-one CHEMBL116735
BDBM50112356	Dual specificity protein phosphatase (VHR) Dual specificity protein phosphatase CDC14A Hematopoietic protein-tyrosine phosphatase (HEPTP) Low molecular weight phosphotyrosine protein phosphatase (LMWPTP) Protein phosphatase 5 (PP5) Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Protein-tyrosine phosphatase MEG2 (PTP-Meg2) Protein-tyrosine phosphatase alpha Receptor-type tyrosine-protein phosphatase F (LAR) Receptor-type tyrosine-protein phosphatase beta (PTPβ) Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Receptor-type tyrosine-protein phosphatase gamma Receptor-type tyrosine-protein phosphatase mu (PTPμ) Tyrosine-protein phosphatase non-receptor type 11 Tyrosine-protein phosphatase non-receptor type 22	1	16	0	0	0	0	0	0	CHEMBL3609373
BDBM50112357	Dual specificity protein phosphatase (VHR) Dual specificity protein phosphatase CDC14A Hematopoietic protein-tyrosine phosphatase (HEPTP) Low molecular weight phosphotyrosine protein phosphatase (LMWPTP) Protein phosphatase 5 (PP5) Protein-tyrosine phosphatase 1B Protein-tyrosine phosphatase 1C Protein-tyrosine phosphatase MEG2 (PTP-Meg2) Protein-tyrosine phosphatase alpha Receptor-type tyrosine-protein phosphatase F (LAR) Receptor-type tyrosine-protein phosphatase beta (PTPβ) Receptor-type tyrosine-protein phosphatase epsilon (PTPε) Receptor-type tyrosine-protein phosphatase gamma Receptor-type tyrosine-protein phosphatase mu (PTPμ) Tyrosine-protein phosphatase non-receptor type 11 Tyrosine-protein phosphatase non-receptor type 22	0	16	0	0	0

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