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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
BDBM10318	9	18	0	1	0	0	0	0	Caspase-1 Caspase-2 Caspase-3 Caspase-4 Caspase-6 Caspase-7 Caspase-8 Caspase-9	(S)-5-{1-[2-(Phenoxymethyl)pyrrolidinyl]sulfonyl}isatin 5-{[(2S)-2-(phenoxymethyl)pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione CHEMBL62993 Isatin Sulfonamide 29 Pyrrolidine Isatin Analogue 10
BDBM16047	15	12	1	0	0	0	0	0	Beta-secretase 1 Cathepsin D beta-Secretase (BACE-1)	(4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)-4-amino-4-formamidobutanoic acid]-3-methylbutanamido]butanediamido]-4-hydroxy-2,7-dimethyloctanamido]propanamido]-4-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}butanoic acid CHEMBL78946 EVNXXAEF N-{(2R,4S,5S)-5-[(L-alpha-glutamyl-L-valyl-L-asparaginyl)amino]-4-hydroxy-2,7-dimethyloctanoyl}-L-alanyl-L-alpha-glutamyl-L-phenylalanine OM99-2
BDBM17283	18	10	0	0	0	0	0	0	Coagulation factor X Plasminogen Thrombin and coagulation factor X Tissue-type plasminogen activator Trypsin Trypsin-1	(2S)-3-(7-carbamimidoylnaphthalen-2-yl)-2-(4-{[(3S)-1-ethanimidoylpyrrolidin-3-yl]oxy}phenyl)propanoic acid CHEMBL19902 DX-9065a
BDBM18358	7	21	0	0	0	0	0	0	α-galactosidase α-glucosidase β-galactosidase Beta-galactosidase Beta-glucosidase Ceramide glucosyltransferase Glucosylceramidase Probable alpha-glucosidase Os06g0675700 Sucrase-isomaltase alpha-Glucosidase (alpha-Glu) alpha-glucosidase (Gaa)	(2R,3R,4R,5S)-2-(hydroxymethyl)-1-nonylpiperidine-3,4,5-triol N-Nonyl-DNJ
BDBM19855	8	15	0	5	0	0	0	0	Cathepsin (B and K) Cathepsin D Cathepsin K Cathepsin L1 Cathepsin S	Balicatib CHEMBL371064 N-[1-(cyanomethylcarbamoyl)cyclohexyl]-4-(4-propylpiperazin-1-yl) N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-4-(4-propylpiperazin-1-yl)benzamide basic piperazine-containing compound, 10
BDBM19856	4	19	0	5	0	0	0	0	Cathepsin (B and K) Cathepsin K Cathepsin L1 Cathepsin S	(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide CHEMBL184514 JMC463709 (R)-2 piperazine-containing compound, 11
BDBM220447	6	2	19	1	0	0	0	0	Adenosine receptor BRD4/HDAC1 Bromodomain adjacent to zinc finger domain protein 2A Bromodomain adjacent to zinc finger domain protein 2B Bromodomain and PHD finger-containing protein 3 Bromodomain and WD repeat-containing protein 1 Bromodomain testis-specific protein Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 (BRD4) Bromodomain-containing protein 7 Bromodomain-containing protein 8 Bromodomain-containing protein 9 Cat eye syndrome critical region protein 2 E3 ubiquitin-protein ligase TRIM33 Histone acetyltransferase KAT2A/KAT2B Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha Peregrin Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1-like Transcription intermediary factor 1-alpha Translocator protein	US9296741, 36
BDBM22199	16	12	0	0	0	0	0	0	Alpha-1A adrenergic receptor Delta-type opioid receptor Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine Transporter (DAT) Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M2 Norepinephrine transporter Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent serotonin transporter	1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine CHEMBL112280 CHEMBL286991 GBR 12935 Analogue, 36 GBR-13,069
BDBM22889	10	18	0	0	0	0	0	0	Adrenergic Alpha Aldehyde oxidase Cytochrome P450 3A HRH3 Histamine H1 receptor Histamine H2 receptor Histamine H4 receptor Histamine receptor (H3) Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 P-glycoprotein (P-gp) P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Potassium-transporting ATPase alpha chain 1/beta chain Solute carrier family 22 member 11 Solute carrier family 22 member 2 Solute carrier family 22 member 6 Solute carrier family 22 member 8	(Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine,cyanide (Cimetidine)N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanomethyliminomethanediamine (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine 1-cyano-2-methyl-3-(2-((5-methyl-1H-imidazol-4-yl)methylthio)ethyl)guanidine 1-cyano-2-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfanyl}ethyl)guanidine 2-Chloro-5-(1-hydroxy-3-oxo-2,3-dihydro-1H-isoindol-1-yl)-benzenesulfonamide(Cimetidine) 2-Methyl-8-phenethyl-imidazo[1,2-a]pyridine-3-carboxylic acid methyl ester(cimetidine) 2-methylamino-2-[2-(4-methyl-1H-5-imidazolylmethylsulfanyl)ethylamino]-(E)-1-imino cyanide 2-methylamino-2-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethylamino]-(Z)-1-imino cyanide(cimetidine) ; N''''''''-cyano-N-methyl-N''''-(2-(((5-methyl-1H-imidazol-4-yl)methyl)thio)-ethyl)guanidine CHEMBL30 CIMETIDINE Cimetidine Eureceptor N''''''''''''''''-cyano-N-methyl-N''''''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]-lambda~4~-sulfanyl}ethyl)guanidine N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine (Cimetidine) N''''''''-cyano-N-methyl-N''''-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]thio}ethyl)guanidine(cimetidine) N''''''''-cyano-N-methyl-N''''-({[(5-methyl-1H-imidazol-4-yl)methyl]thio}methyl)guanidine(cimetidine) N-Cyano-N''''-methyl-N''''''''-(2-(((5-methyl-1H-imidazol-4-yl) methyl)thio)ethyl)guanidine(Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-Cyano-guanidine N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-N''''''''-cyano-guanidine(Cimetidine) N-Methyl-N''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-cyanoguanidine(cimetidine) N-cyanomethyl-N''''-methyl-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine ( Cimetidine) N-methyl-N''''-cyano-N''''''''-[2-(5-methyl-1H-imidazol-4-ylmethylsulfanyl)-ethyl]-guanidine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]-1-cyanoiminomethanediamine N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]cyanoiminomethanediamine (cimetidine) N-methyl-N-[2-(5-methyl-1H-4-imidazolylmethylsulfanyl)ethyl]imino(-N-cyano)methanediaminem N-tert-Butyl-N''''-[4-(1H-imidazol-4-yl)-phenyl]-formamidine(cimetidine) Tagamet Tagamet HB Tagamet hb 200 cemitidine
BDBM23183	19	4	2	3	0	0	0	0	Adenosine receptor A3 D-Amino Acid Oxidase (DAAO) Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor GABA A Alpha2Beta1Gamma2 GABA A receptor alpha-1/beta-1/gamma-2 GABA A receptor alpha-3/beta-2/gamma-2 GABA A receptor alpha-6/beta-2/gamma-2 GABA B rho 1 GABA receptor gamma-1 subunit GABA receptor rho-2 subunit GABA transporter GABA-C receptor Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A)) Gamma-aminobutyric acid type B receptor subunit 1	5-(aminomethyl)-1,2-oxazol-3-ol Agarin CHEMBL273481 Muscimol Pantherine
BDBM254603	12	16	0	0	0	0	0	0	Amine oxidase [flavin-containing] A Amine oxidase [flavin-containing] B GST-Lysine Specific Demethylase-1 (LSD1) LSD1/CoREST complex Lysine-specific histone demethylase 1A Lysine-specific histone demethylase 1B	US10214477, Example 5 US9469597, 4 US9670136, 3 (trans)-N1-((1S,2R)-2-phenylcyclopropyl)cyclohexane-1,4-diamine
BDBM25769	8	5	9	6	0	0	0	0	ADRB2 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	4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol Levalbuterol Proventil Salbutamol Salbutamol,(+/-) albuterol
BDBM29643	5	17	0	6	0	0	0	0	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	(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
BDBM3175	0	26	1	0	0	0	0	0	Beta-chymotrypsin Glycogen synthase kinase-3 beta Malate dehydrogenase NAD-Dependent Deacetylase Sirtuin-1 NAD-dependent deacetylase HST2 NAD-dependent deacetylase sirtuin 2 NAD-dependent protein deacetylase sirtuin-3 (SIRT3) Protein Kinase C Protein kinase C alpha type Ribosomal protein S6 kinase (P70S6K) Ribosomal protein S6 kinase alpha 5 Ribosomal protein S6 kinase alpha-3 Serine/threonine-protein kinase PIM Serine/threonine-protein kinase TBK1 cAMP-Dependent Protein Kinase (PKA)	3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione Methanesulfonate BIM-9 Bisindolylmaleimide 11b Bisindolylmaleimide IX CHEMBL6291 ROCHE screening, 57 Ro 31-8220 Ro31-8220 [(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)sulfanyl]methanimidamide
BDBM31757	0	28	0	0	0	0	0	0	Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Estradiol receptor beta (ERβ) Glyceraldehyde-3-phosphate dehydrogenase liver Heat Shock 70kDa Protein 1 Hematopoietic protein-tyrosine phosphatase (HEPTP) MKP-3 NS3 Tyrosine-protein phosphatase non-receptor type 22 Voltage-gated calcium channel subunit alpha Cav2.2 core protein eukaryotic translation initiation factor 4 gamma, 1 isoform 4 heat shock 70kDa protein 8 isoform 2 lens epithelium-derived growth factor p75 neuronal munc18-1 binding protein	6-hydroxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid 6-oxidanyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid MLS-0015717.0001 cid_654089
BDBM32050	0	18	0	10	0	0	0	0	Apoptosis Regulator Bcl-xL Apoptosis regulator Bcl-2 BCL-W Beta lactamase Bfl-1 D(1A) dopamine receptor Dual Specificity Protein Phosphatase 1 Ephrin type-B receptor 4 (EphB4) Glycogen synthase kinase-3 beta Heat shock protein HSP 90-alpha LANA MKP-3 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase 2 Serine/threonine-protein kinase 33 Voltage-gated calcium channel subunit alpha Cav2.2 beta-lactamase glutathione S-transferase metallo-beta-lactamase IMP-1	MLS000080844 SMR000044769 cid_663844
BDBM34572	17	4	0	7	0	0	0	0	ADRA2A Adenosine receptor A1/Alpha-2A adrenergic receptor Adrenergic receptor alpha Adrenergic receptor alpha-1 Adrenergic receptor alpha-2 Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor G protein-activated inward rectifier potassium channel 1 MPI protein adrenergic Alpha2	BRIMONIDINE CHEMBL844 MLS000069370 SMR000058355 UK 14,304 cid_2435
BDBM34737	0	26	0	2	0	0	0	0	Caspase-3 Cathepsin L1 DNA dC->dU-editing enzyme APOBEC-3G Glucose 6-phosphate dehydrogenase (G6PD) M18 aspartyl aminopeptidase MPI protein Mannose-6-phosphate isomerase Probable global transcription activator SNF2L2 eukaryotic translation initiation factor 4 gamma, 1 isoform 4 glucose-6-phosphate dehydrogenase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase hexokinase neutrophil cytosolic factor 1 phosphatase, orphan 1 phosphomannomutase 2 probable DNA dC->dU-editing enzyme APOBEC-3A streptokinase A precursor	2-(4-methylphenyl)-1,2-benzisothiazol-3(2H)-one 2-(4-methylphenyl)-1,2-benzothiazol-3-one 2-(p-tolyl)-1,2-benzothiazol-3-one MLS000583746 SMR000200989 cid_935415
BDBM34966	0	21	0	7	0	0	0	0	DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) 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 phosphatase, orphan 1 phosphomannomutase 2 regulator of G-protein signaling 4 regulator of G-protein signalling 16	3-(3-keto-1,2-benzothiazol-2-yl)-N,N-dimethyl-benzenesulfonamide MLS000773738 N,N-dimethyl-3-(3-oxidanylidene-1,2-benzothiazol-2-yl)benzenesulfonamide N,N-dimethyl-3-(3-oxo-1,2-benzothiazol-2-yl)benzenesulfonamide SMR000364449 cid_5040456
BDBM35226	25	3	0	0	0	0	0	0	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor D(2) dopamine receptor D(3) dopamine receptor Dopamine Transporter (DAT) Monoamine transporters; serotonin & dopamine Norepinephrine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Transporter adrenergic Alpha2 n-AChR	(S,S)-reboxetine Reboxetine Vestra
BDBM47776	4	6	0	18	0	0	0	0	DNA dC->dU-editing enzyme APOBEC-3G G protein signalling regulator 19 Glucose 6-phosphate dehydrogenase (G6PD) Guanine nucleotide-binding protein G(o), alpha subunit 1 RGS7 Regulator of G-protein signaling 8 glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase probable DNA dC->dU-editing enzyme APOBEC-3A regulator of G-protein signaling 4 regulator of G-protein signalling 16	3-chloranyl-N-(3-morpholin-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide 3-chloro-N-(3-morpholin-4-ylpropyl)-6-nitro-1-benzothiophene-2-carboxamide 3-chloro-N-(3-morpholinopropyl)-6-nitro-benzothiophene-2-carboxamide 3-chloro-N-[3-(4-morpholinyl)propyl]-6-nitro-1-benzothiophene-2-carboxamide MLS000684370 SMR000295947 cid_2225472
BDBM50000041	14	13	1	0	0	0	0	0	Neurokinin 1 receptor Neuromedin-K receptor Substance-K receptor Substance-P receptor	(+) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (+)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (+/-)(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (-) (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (-)-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2-Methoxy-benzyl)-((1R,4S)-2-phenyl-piperidin-4-yl)-amine (2-Methoxy-benzyl)-((2S,3S)-2-phenyl-piperidin-3-yl)-amine (2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine (2S,3S)-3-(2-Methoxy-benzyloxy)-2-phenyl-piperidine (2S,3S)-N-(2-methoxybenzyl)-2-phenylpiperidin-3-amine CHEMBL2114310 CHEMBL441225 CP 99994 CP-99994 Tritiated-(2-Methoxy-benzyl)-(2-phenyl-piperidin-3-yl)-amine
BDBM50000540	0	26	0	2	0	0	0	0	Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Cyclooxygenase Phospholipase A2 group 1B Prostaglandin G/H synthase (cyclooxygenase)	1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine (BW-755C) 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755 C) 1-(3-Trifluoromethyl-phenyl)-4,5-dihydro-1H-pyrazol-3-ylamine(BW 755C) 1-(3-trifluoromethylphenyl)-4,5-dihydro-1H-3-pyrazolamine BW-755C CHEMBL274642
BDBM50003616	4	24	0	0	0	0	0	0	Acyl-CoA: cholesterol acyltransferase (ACAT) Aldehyde reductase Aldehyde reductase (ALR1) Aldose reductase Aldose reductase (ALR2) Aldose reductase-related protein 1 Bile salt export pump Bile salt export pump (BSEP) Carboxylesterase 2 Coagulation factor VII/tissue factor Cytochrome P450 2A6 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 NAD-dependent protein deacetylase sirtuin-5 (SIRT5) Uridine-5'-diphosphoglucuronosyltransferase 2B7	2-n-propyl-n-valeric acid CHEMBL109 DPA Di-n-propylessigsaeure VALPROIC ACID Valproinsaeure dipropylacetic acid n-DPA
BDBM50005120	27	1	0	0	0	0	0	0	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A (5-HT1A) D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor DRD2 Dopamine D2 receptor and Serotonin 2a receptor (D2 and 5HT2a) Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor Dopamine receptor Dopamine receptors; D2 & D4 Serotonin (5-HT) receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	CHEMBL274491 N-((2S,3S)-1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide N-(1-Benzyl-2-methyl-pyrrolidin-3-yl)-5-chloro-2-methoxy-4-methylamino-benzamide Nemonapride YM-09151-2
BDBM50006774	19	9	0	0	0	0	0	0	Dopamine Transporter (DAT) Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	(2S,3S)-methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate 3-(4-Iodo-phenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester CHEMBL311347 methyl 3-(4-iodophenyl)-8-methyl-(2S,3S)-8-azabicyclo[3.2.1]octane-2-carboxylate
BDBM50006781	9	19	0	0	0	0	0	0	Dopamine Transporter (DAT) Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	(2S,3S)-methyl 8-methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate 3R-(4-methylphenyl)-tropane-2R-carboxylic acid methyl ester 8-Methyl-3-p-tolyl-8-aza-bicyclo[3.2.1]octane-2-carboxylic acid methyl ester CHEMBL312037
BDBM50014945	20	3	0	5	0	0	0	0	5-hydroxytryptamine receptor 1A (5-HT1A) 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C Serotonin (5-HT) receptor Serotonin 1B/1D receptor Serotonin 2 (5-HT2) receptor Serotonin receptor (2b and 2c) Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C)	3-(2-aminopropyl)-1H-indol-5-ol CHEMBL275854 alpha-M-5-HT alpha-methyl-5-HT alpha-methyl-5-hydroxytryptamine alpha-methylserotonin
BDBM50015214	3	21	1	3	0	0	0	0	Aldehyde oxidase Arachidonate 5-lipoxygenase Bile salt export pump Butyrylcholinesterase (BuChE) Calcium channel Cyclooxygenase Cystic fibrosis transmembrane conductance regulator DNA-directed RNA polymerase subunit beta' Glutathione reductase (GR) Histidine-rich protein P-glycoprotein 1 Phospholipase A2 group 1B Phospholipase A2 group IIA Phospholipase A2, acidic Phospholipase A2, major isoenzyme Phospholipase A2, membrane associated Prion protein Prostaglandin G/H synthase (cyclooxygenase) Riboflavin-binding protein Sodium channel protein type I I alpha subunit Trypanothione reductase	6-chloro-2-methoxy-9-acridinyl(4-diethylamino-1-methylbutyl)amine 6-chloro-N-(5-(diethylamino)pentan-2-yl)-2-methoxyacridin-9-amine CHEMBL7568 N'-(6-chloro-2-methoxy-acridin-9-yl)-N,N-diethyl-pentane-1,4-diamine N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine (Mepacrine) N*4*-(6-Chloro-2-methoxy-acridin-9-yl)-N*1*,N*1*-diethyl-pentane-1,4-diamine ; (mepacrine) N-(4-Hydroxy-phenyl)-acetamide cid_237 quinacrine
BDBM50019213	23	5	0	0	0	0	0	0	Cholecystokinin A receptor Cholecystokinin receptor GABA A Alpha2Beta1Gamma2 GABA A receptor alpha-1/beta-1/gamma-2 GABA A receptor alpha-3/beta-2/gamma-2 Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1) Gamma-aminobutyric acid type B receptor subunit 1 Translocator protein	1,3-dihydro-7-nitro-5-(2-chlorophenyl)-2H-1,4.benzodiazepin-2-one 5-(2-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one 5-(o-chlorophenyl)-7-nitro-1,3-dihydro-2H-1,4-benzodiazepin-2-one CHEMBL452 CLONAZEPAM
BDBM50027084	0	9	0	19	0	0	0	0	Melanocortin receptor 1 Melanocortin receptor 3 Melanocortin receptor 3 (MC3R) Melanocortin receptor 4 Melanocortin receptor 5 (MC5R) Melanocyte-stimulating hormone receptor	MELATONAN Melatonan
BDBM50028094	7	18	3	0	0	0	0	0	Bile salt export pump Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Dopamine Transporter (DAT) Monoamine transporters; Norepininephrine & dopamine Monoamine transporters; serotonin & dopamine Norepinephrine Monoamine transporters Sigma non-opioid intracellular receptor 1 Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Transcriptional activator protein luxR	(1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine (1S-cis)-1,2,3,4-tetrahydro-4-(3,4-dichlorophenyl)-N-methyl-1-naphthalenamine CHEMBL809 SERTRALINE
BDBM50030623	28	0	0	0	0	0	0	0	ADRA2C Adrenergic alpha1B Adrenergic receptor alpha Adrenergic receptor alpha-2 Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor adrenergic Alpha2	6-Chloro-3-methyl-9-(3-methyl-but-2-enyloxy)-2,3,4,5-tetrahydro-1H-benzo[d]azepine CHEMBL114166 SK&F-104078 SK-104078 SKF 104078
BDBM50032221	0	6	2	20	0	0	0	0	Retinoic acid receptor RXR-alpha Retinoid X receptor gamma/retinoic acid receptor alpha Retinoid receptor	4-[(E)-2-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid CHEMBL32505
BDBM50034501	7	0	0	21	0	0	0	0	GRIA3 Glutamate kainate Glutamate receptor 1 (GluA1) Glutamate receptor ionotropic, AMPA 2 Glutamate receptor ionotropic, AMPA 4 Glutamate receptor ionotropic, kainate Ionotropic glutamate receptor kainate 2/5 Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 2 Metabotropic glutamate receptor 3 (mGlu3) Metabotropic glutamate receptor 4 (mGlu4) Metabotropic glutamate receptor 6 (mGlu6) Metabotropic glutamate receptor 8	(S)-Amino-(3-hydroxy-isoxazol-5-yl)-acetic acid (S)-Amino-(3-oxo-2,3-dihydro-isoxazol-5-yl)-acetic acid CHEMBL30285
BDBM50034910	6	0	0	22	0	0	0	0	Melanocortin receptor (M1 and M4) Melanocortin receptor (M3 and M4) Melanocortin receptor 1 Melanocortin receptor 3 Melanocortin receptor 3 (MC3R) Melanocortin receptor 4 Melanocortin receptor 5 (MC5R) Melanocyte-stimulating hormone receptor	(S)-2-{(S)-2-[(S)-2-acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [(S)-1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide 2-{2-[2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amideAc-His-DPhe-DArg-Trp-NH2 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide 2-{2-[2-Acetylamino-3-(3H-imidazol-4-yl)-propionylamino]-3-phenyl-propionylamino}-5-guanidino-pentanoic acid [1-carbamoyl-2-(1H-indol-3-yl)-ethyl]-amide(Ac-His-Phe-Arg-Trp-NH2) Ac-His-D-Phe-Arg-D-Trp-NH2 Ac-His-DPhe-Arg-Trp-NH2 Ac-His-Phe-Arg-Trp-NH2 CHEMBL50056
BDBM50041457	1	26	1	0	0	0	0	0	Bile salt export pump Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Heparanase Histamine N-methyltransferase Histidine-rich protein Phosphoehtnaolamine Methyltransferases 1 (PMT1) Phosphoehtnaolamine Methyltransferases 2 (PMT2) Phosphoethanolamine N-methyltransferase Potassium voltage-gated channel subfamily H member 2	4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol AMODIAQUINE CHEMBL682
BDBM50053929	27	1	0	0	0	0	0	0	Adenosine Receptors A2a (A2a) Adenosine receptor A1 Adenosine receptor A2 Adenosine receptor A2a and A3 Adenosine receptor A3	CHEMBL88147 N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenyl-acetamide N-(9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-N-methyl-2-phenyl-acetamide N-(9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-2-phenylacetamide
BDBM50056101	22	6	0	0	0	0	0	0	ADRB2 Alpha-1A adrenergic receptor CCKBR Cholecystokinin receptor DOPAMINE Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor GRIA3 Gamma-aminobutyric acid receptor subunit alpha-1 (GABA(A) alpha-1) Histamine H1 receptor Kappa-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Nociceptin/mu opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 adrenergic Alpha2	1-[(R)-2-Oxo-1-(2-oxo-2-o-tolyl-ethyl)-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea CHEMBL115121 YM022 YM022 Racemate
BDBM50056401	24	3	0	1	0	0	0	0	5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 4 (5-HT4) Cerebral cortex alpha adrenergic receptor HTR1D HTR2C HTR4 Nociceptin/mu opioid receptor Serotonin (5-HT) receptor Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor adrenergic Alpha2	2-diethylaminoethyl [2-methoxy-4-amino-5-chloro]benzoate 4-Amino-5-chloro-2-methoxy-benzoic acid 2-diethylamino-ethyl ester CHEMBL287045 SDZ 205557 SDZ-205557
BDBM50061101	7	18	0	3	0	0	0	0	Bile salt export pump Bile salt export pump (BSEP) EDNRA EDNRB Endothelin receptor ET-A Endothelin-1 receptor Pregnane X receptor (PXR)	4-(1,1-Dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-(2,2'-bipyrimidin)-4-yl) benzenesulfornamide 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2,2'-bipyrimidin-4-yl]benzenesulfonamide BOSENTAN CHEMBL957 p-tert-Butyl-N-(6-(2-hydroxyethoxy)-5-(o-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl)benzenesulfonamide
BDBM50061220	17	11	0	0	0	0

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