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Compounds Sorted by Binding Data per Compound

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1130   1133   1206   1262   1543   1639   1903   2029   

Compounds Sorted Alphabetically

Compound Name (alphabetical)	Enz. Inhib. Data							ITC Data	Binding Targets	Alternate Compound Names
	Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM127821	0	40	0	0	0	0	0	0	High affinity nerve growth factor receptor JAK1 (aa 866-1154) JAK2 (aa 808-1132) JAK3 (aa 781-1124) Non-receptor tyrosine-protein kinase TYK2 Tyk2 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK1 (866-1154) Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3	US10251889, Example 195 US10758542, Example 194 US8791123, 194 US9782415, Example 194 US9796724, Example 194
BDBM13055	38	0	2	0	0	0	0	0	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 7 Carbonic anhydrase 9	CHEMBL283695 Compound 8 Topiramate Sulfamide Analogue 8 amino-N-{[(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0^{2,6}]dodecan-6-yl]methyl}sulfonamide
BDBM13061	2	38	0	0	0	0	0	0	Aromatase cytochrome P450 Bile salt export pump Carbonic anhydrase 2 Cytochrome P450 11B1, mitochondrial Cytochrome P450 11B2 (CYP11B2) Cytochrome P450 19A1	4,4 -(1H-1,2,4-triazol-1-ylmethanediyl)dibenzonitrile 4-[(4-cyanophenyl)(1H-1,2,4-triazol-1-yl)methyl]benzonitrile CHEMBL1444 Letrozole
BDBM15336	26	13	1	0	0	0	0	0	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	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
BDBM16285	0	38	2	0	0	0	0	0	Acyl-protein thioesterase 1/2 Dipeptidyl peptidase 2 (DPP II) Dipeptidyl peptidase 4 Dipeptidyl peptidase 8/9 Dipeptidyl peptidase 9 Dipeptidyl peptidase VIII Dipeptidyl peptidase-IV (DDP-4) Fibroblast activation protein alpha Lysosomal phospholipase A1	2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}methyl)benzonitrile 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile Alogliptin SYR-322
BDBM220133	0	40	0	0	0	0	0	0	Acetyl-CoA carboxylase 1 Acetyl-CoA carboxylase 2	US9278925, V.2-a US9278925, V.4-a
BDBM22040	30	4	6	0	0	0	0	0	Benzodiazepine receptors; peripheral & central Gamma-aminobutyric acid receptor subunit alpha-1 Gamma-aminobutyric acid type B receptor subunit 1 Peripheral-Type Benzodiazepine Receptor Peripheral-type benzodiazepine receptor Translocator protein	4 -chlorodiazepam 4' Cl-diazepam 7-chloro-5-(4-chlorophenyl)-1-methyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one 7-chloro-5-(4-chlorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one CHEMBL286346 Ro 5-4864 Ro-05-4864 Ro-4864 Ro5-4864
BDBM23406	0	40	0	0	0	0	0	0	α-glucosidase Alpha glucosidase Alpha-amylase Alpha-glucosidase Alpha-glucosidase MAL12 Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Multidrug resistance-associated protein 4 Pancreatic alpha-amylase Probable maltase-glucoamylase 2 Sucrase-isomaltase alpha-Glucosidase (α-Glucosidase) alpha-Glucosidase (α-glucosidase) alpha-Glucosidase (alpha-Glu) alpha-glucosidase (Gaa)	(3R,4R,5S,6R)-5-{[(2R,3R,4R,5S,6R)-5-{[(2R,3R,4S,5S,6R)-3,4-dihydroxy-6-methyl-5-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,4-triol Acarbose
BDBM23620	8	32	0	0	0	0	0	0	Adrenergic Alpha Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Equilibrative Nucleoside Transporter 1 (ENT1) Gamma-aminobutyric acid receptor subunit alpha-1 Heat shock protein HSP 90-alpha Homo sapiens phosphodiesterase 2A (PDE2A) Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Multidrug resistance-associated protein 4 Multidrug resistance-associated protein 5 P-glycoprotein 1 Phosphodiesterase (TcrPDEC) Phosphodiesterase 1 Phosphodiesterase 11A (PDE11A) Phosphodiesterase 3 Phosphodiesterase 3A Phosphodiesterase 4 Phosphodiesterase 4A Phosphodiesterase 6 Phosphodiesterase 7 Phosphodiesterase 8 Protein prune homolog Solute carrier family 22 member 2 cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A cGMP-specific 3',5'-cyclic phosphodiesterase	2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol CHEMBL932 DIPYRIDAMOLE Dipyridamine Dipyridamole Dipyudamine MLS000028420 Persantine SMR000058382 cid_3108
BDBM246889	0	40	0	0	0	0	0	0	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 Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO	7-(1-(9H-purin-6- ylamino)ethyl)-6-(3- fluorophenyl)-3-methyl- 5H-thiazolo[3,2- a]pyrimidin-5-one US10053465, 27 US10065963, Compound 27 US10428087, Example 30 US10519163, Example 27 US10675284, Example 27 US10829502, Example 30 US9975907, Example 30
BDBM25737	0	40	0	0	0	0	0	0	Arachidonate 5-lipoxygenase EBifunctional epoxide hydrolase 2 Epoxide Hydrolase B (EHB) Epoxide hydrolase Epoxide hydrolase 1 Epoxide hydrolase 2 Soluble Epoxide Hydrolase Soluble epoxide hydrolase (sEH)	12-[(adamantan-1-ylcarbamoyl)amino]dodecanoic acid CHEMBL215387 US10383835, Compound 700 Urea-based compound, 18
BDBM26194	31	8	0	1	0	0	0	0	Alpha-glucosidase MAL12 Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 D(1A) dopamine receptor Epidermal growth factor receptor Gamma-amino-N-butyrate transaminase Procollagen-proline,2-oxoglutarate-4-dioxygenase Succinate semialdehyde dehydrogenase Thiopurine S-methyltransferase Toll-like receptor 2 Tyrosinase	4-Hydroxybenzoate, III 4-hydroxybenzoic acid CHEMBL441343 p-Hydroxybenzoic acid phenol derivative, 8
BDBM26984	40	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	CHEMBL1644697 CN(-1) cyanide iminomethanide
BDBM292107	40	0	0	0	0	0	0	0	Non-receptor tyrosine-protein kinase TYK2 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3	US10100049, Example 4 US10183942, Example 4-2 US10526330, Example 4 US10913740, Example 4-2
BDBM292112	40	0	0	0	0	0	0	0	Non-receptor tyrosine-protein kinase TYK2 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3	US10100049, Example 9 US10183942, Example 9-2 US10526330, Example 9 US10913740, Example 9-2
BDBM4567	0	40	0	0	0	0	0	0	Cytoplasmic tyrosine-protein kinase BMX EGF-R Tyrosine Kinase EGF-R Tyrosine Kinase Mutant (T790M) Epidermal growth factor receptor Proto-oncogene tyrosine-protein kinase Src Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase 11 Src Mutant (S345C) Src Mutant (S345C/T338M) Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase Fyn Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK3	4-anilinoquinazoline deriv. 2 BMC163482 Compound 1 CHEMBL285063 N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}prop-2-enamide US9422297, PD168393
BDBM50000091	35	3	0	2	0	0	0	0	Delta-type opioid receptor Kappa-type opioid receptor Mu-type opioid receptor OPRD1 OPRK1 Opioid receptor Opioid receptors; mu/kappa/delta	(6S,11R)-3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (6S,11R)-3-Cyclopropylmethyl-9-hydroxy-6,11-dimethyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one (ethylketocyclazocine) 3-Cyclopropylmethyl-6-ethyl-8-hydroxy-11-methyl-3,4,5,6-tetrahydro-2H-2,6-methano-benzo[d]azocin-1-one(Ethylketazocine, EKC) CHEMBL279968 EKC EKC(-)
BDBM50006878	3	37	0	0	0	0	0	0	CCKBR Cholecystokinin A receptor Cholecystokinin receptor Potassium voltage-gated channel subfamily H member 2	(R)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea (R)-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea (RS)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea (S)-1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea 1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea 1-((R)-1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-tolyl-urea 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea ((R)L365_260) 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea (L-365,260) 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L-365,260) 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L-365260) 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea(L365,260) 1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-tolyl-urea CHEMBL9387 L-365260 LY-365260
BDBM50007674	17	21	2	0	0	0	0	0	3-beta-hydroxysteroid-delta(8),delta(7)-isomerase 5-hydroxytryptamine receptor 1A (5HT1A) Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor D(2) dopamine receptor Dopamine D1 receptor GluN1/GluN2B NMDA receptor Glutamate [NMDA] receptor subunit epsilon 1/zeta 1 Glutamate [NMDA] receptor subunit epsilon 2/zeta 1 Glutamate [NMDA] receptor subunit epsilon 3/zeta 1 Glutamate receptor ionotropic, NMDA 1 Glutamate receptor ionotropic, NMDA 2B Histamine H1 receptor Imidazoline I1 Mu-type opioid receptor Muscarinic acetylcholine receptor M3 NMDA receptor subunit 2C (GluN2C) Serotonin 2a (5-HT2a) receptor Sigma intracellular receptor 2 Sigma non-opioid intracellular receptor 1 Sigma-1 receptor	(+)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol (-)-erythro 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol 4-[(1R,2S)-2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol 4-[(R)-2-(4-Benzyl-piperidin-1-yl)-1-(S)-hydroxy-propyl]-phenol 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol CHEMBL49623 Ifenprodil Ifenprodil,(+/-)
BDBM50012957	8	31	0	1	0	0	0	0	ATP synthase subunit gamma, mitochondrial ATP-binding cassette sub-family G member 2 Alpha-chymotrypsin Beta-lactamase AmpC Bile salt export pump Bile salt export pump (BSEP) CDGSH iron-sulfur domain-containing protein 1 Canalicular multispecific organic anion transporter 2 Cholesteryl ester transfer protein Cystic fibrosis transmembrane conductance regulator Malate dehydrogenase cytoplasmic Multidrug resistance-associated protein 4 NACHT, LRR and PYD domains-containing protein 3 NLRP3 protein Oligopeptide transporter, kidney isoform Peroxisome proliferator-activated receptor Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 1 Potassium channel, inwardly rectifying, subfamily J, member 11/Sulfonylurea receptor 2 Potassium voltage-gated channel subfamily H member 2 Solute carrier family 15 member 1 Solute carrier family 22 member 6 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Twik-RElated Potassium (K+) channel 1 (TREK1)	1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-cyclohexylurea 1-(p-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulfonyl)-3-cyclohexylurea 5-chloro-N-(2-(4-((((cyclohexylamino)carbonyl)amino)sulfonyl)phenyl)ethyl)-2-methoxybenzamide 5-chloro-N-(2-{4-[N-(N-cyclohexylcarbamoyl)sulfamoyl]phenyl}ethyl)-2-methoxybenzamide CHEMBL472 GLYBURIDE Glibenclamide
BDBM50073805	38	0	0	2	0	0	0	0	5-HT2 5-hydroxytryptamine receptor 1A D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor DRD1 Dopamine D1 receptor Dopamine receptor	3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine 3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]pyridine 4-(4-Chloro-phenyl)-1-pyrazolo[1,5-a]pyridin-3-ylmethyl-piperazin-1-ium CHEMBL7927 FAUC 113
BDBM50095952	0	40	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Activin receptor-like kinase 3 (ALK-3) Angiopoietin-1 receptor Axin-1/Glycogen synthase kinase-3 beta CAMK2A CDK2/Cyclin A/Cyclin A1 Casein kinase I isoform delta Dual specificity mitogen-activated protein kinase kinase 1 Ephrin type-A receptor 2 Epidermal growth factor receptor Focal adhesion kinase 1 High affinity nerve growth factor receptor Insulin-like growth factor I receptor Interleukin-1 receptor-associated kinase 4 Mitogen-activated protein kinase 10 Mitogen-activated protein kinase kinase kinase 1 Mitogen-activated protein kinase kinase kinase 9 (MLK1) Potassium voltage-gated channel subfamily H member 2 Protein kinase C alpha type Protein kinase C theta type RAC-alpha serine/threonine-protein kinase RAF proto-oncogene serine/threonine-protein kinase Receptor tyrosine-protein kinase erbB-2 Rho-associated protein kinase 1 Ribosomal protein S6 kinase (P70S6K) Serine/threonine-protein kinase Aurora-C Serine/threonine-protein kinase Chk1/2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BTK Tyrosine-protein kinase CSK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase SYK Tyrosine-protein kinase TEC Tyrosine-protein kinase ZAP-70	CHEMBL3593777
BDBM50122758	19	21	0	0	0	0	0	0	Cytochrome P450 1A Cytochrome P450 2D6 Cytochrome P450 3A Glutamate receptor ionotropic, NMDA 2B Metabotropic glutamate receptor Metabotropic glutamate receptor 1 Metabotropic glutamate receptor 5 Monoamine oxidase	2-methyl-4-(pyridin-3-ylethynyl)thiazole 3-(2-(2-methylthiazol-4-yl)ethynyl)pyridine 3-(2-Methyl-thiazol-4-ylethynyl)-pyridine 3-[(2-methyl-1,3-thiazol-4-yl)ethynyl]pyridine 3-[(2-methyl-4-thiazolyl)ethynyl]pyridine CHEMBL292065 MTEP
BDBM50139181	8	31	0	1	0	0	0	0	3-hydroxy-3-methylglutaryl-coenzyme A reductase 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA) Acetylcholinesterase Bile Salt Export Pump, BSEP Bile salt export pump Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cholinesterase Cystic fibrosis transmembrane conductance regulator Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A HMG-CoA reductase Multidrug resistance-associated protein 2 (MRP2) Multidrug resistance-associated protein 4 P-glycoprotein 1 Solute carrier organic anion transporter family member 1B1 (OATP1B1)	(1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate 2,2-dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one MK-733 SIMVASTATIN LACTONE Simvastatin Zocor cid_54454
BDBM50139391	37	1	0	2	0	0	0	0	HRH3 Histamine H1 receptor Histamine H2 Receptor Histamine H3 receptor Histamine H4 receptor Potassium voltage-gated channel subfamily H member 2	(R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofuran-5-yl)benzonitrile 4-{2-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-benzonitrile ABT-239 CHEMBL351231
BDBM50158610	40	0	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-1D adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor Beta-3 adrenergic receptor D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Histamine H2 Receptor Histamine H3 receptor Histamine H4 receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5 Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	(4-Fluoro-phenyl)-{2-[2-((R)-2-methyl-pyrrolidin-1-yl)-ethyl]-benzofuran-5-yl}-methanone CHEMBL555146
BDBM50159392	0	40	0	0	0	0	0	0	Somatostatin receptor type 1 Somatostatin receptor type 2 Somatostatin receptor type 3 Somatostatin receptor type 4 Somatostatin receptor type 5	(4R,7R,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanamido]propanamido]a (4R,7S,10S,13S,16S,19S,22S,25S,28S,31S,34S,37R)-37-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}propanamido]-4-(methylsulfanyl)butanamido]propanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-4-carboxybutanamido]-5-carbamimidamidopentanamido]hexanamido]propanamido]a 4-{5-[1-Aza-bicyclo[2.2.1]hept-(3Z)-ylidenemethyl]-isoxazol-3-yl}-phenylamine CHEMBL442494 SRIF-28
BDBM50178769	0	40	0	0	0	0	0	0	Lymphocyte differentiation antigen CD38 NAD-Dependent Deacetylase Sirtuin-1 NAD-dependent deacetylase sirtuin 1 NAD-dependent deacetylase sirtuin 2 NAD-dependent protein deacetylase sirtuin-3 (SIRT3)	(+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide 6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide CHEMBL420311
BDBM50180036	34	2	0	4	0	0	0	0	Cannabinoid receptor Cannabinoid receptor 1 Cannabinoid receptor 2	(6aR,10aR)-3-(1,1-dimethylbutyl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6Hdibenzo[b,d]pyran (6aR,10aR)-6,6,9-trimethyl-3-(2-methylpentan-2-yl)-6a,7,10,10a-tetrahydro-6H-benzo[c]chromene CHEMBL371214 JWH-133
BDBM50249522	1	26	8	5	0	0	0	0	1,3-beta-glucan synthase component GLS2 Cytochrome P450 Cytochrome P450 1A Cytochrome P450 2C19 G-protein- coupled-like receptor Smoothened (Smo) Serum albumin Smoothened homolog Sonic hedgehog protein	2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide CHEMBL473417 VISMODEGIB
BDBM50263887	5	12	0	23	0	0	0	0	CHRM5 D(2) dopamine receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Muscarinic acetylcholine receptor M5	1-(1'-(2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one 1-(1'-2-methylbenzyl)-1,4'-bipiperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one CHEMBL522460
BDBM50366824	0	40	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Bile salt export pump Calcium channel (Type L) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 DNA Gyrase DNA Gyrase Subunit A DNA gyrase subunit A DNA gyrase subunit B DNA gyrase subunit B (DNA gyraseB) Multidrug resistance-associated protein 4 Potassium voltage-gated channel subfamily H member 2 Sodium channel protein type 5 subunit alpha Voltage-gated L-type calcium channel Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1	Avelox MOXIFLOXACIN
BDBM50382959	0	6	34	0	0	0	0	0	ALK tyrosine kinase receptor Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B B-RAF V600E Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Dual specificity mitogen-activated protein kinase kinase 1 Dual specificity mitogen-activated protein kinase kinase 2 Ephrin type-A receptor 2 Ephrin type-A receptor 2 (EPHA2) Epidermal growth factor receptor Hepatocyte growth factor receptor IGF-like family receptor 1 Insulin receptor Macrophage colony stimulating factor receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 3 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase receptor Ret RAF proto-oncogene serine/threonine-protein kinase Serine/threonine-protein kinase B-raf Serine/threonine-protein kinase PLK1 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Vascular endothelial growth factor receptor 2	CEP-32496 CHEMBL2029988 US9730937, Example 261
BDBM50383191	4	36	0	0	0	0	0	0	Angiopoietin-1 receptor Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Cyclin-Dependent Kinase 5 (CDK5) Fibroblast growth factor receptor 1 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor I receptor Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 9 Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RAC-alpha serine/threonine-protein kinase Ribosomal protein S6 kinase (P70S6K) Ribosomal protein S6 kinase alpha 5 Serine/threonine-protein kinase AKT2 Serine/threonine-protein kinase pim-1 Serine/threonine-protein kinase pim-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BTK Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Vascular endothelial growth factor receptor 2 cAMP-dependent protein kinase (PKA)	CHEMBL2031893
BDBM50450369	0	39	1	0	0	0	0	0	Leukocyte adhesion molecule-1 P-selectin P-selectin/P-selectin glycoprotein ligand 1 Selectin Selectin E	SIALYL LEWIS X Sialyl LeX Sialyl lewis-x sLex sialyl LewisX
BDBM50451447	4	34	0	2	0	0	0	0	1,3-beta-glucan synthase component GLS2 Adenosine receptor A1 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A High-affinity choline transporter Monoamine transporter Prostaglandin E synthase/G/H synthase 2 Serotonin (5-HT) receptor Sodium channel alpha subunit Sodium channel alpha subunits; brain (Types I, II, III) Sodium channel protein type 2 alpha subunit Sodium channel protein type 5 subunit alpha Sodium channel protein type 7 subunit alpha Sodium channel protein type 8 subunit alpha Sodium channel protein type 9 subunit alpha Sodium channel protein type IX alpha subunit Sodium channel protein type VIII alpha subunit Sodium channel protein type XI alpha subunit Sodium-dependent dopamine transporter Voltage-gated sodium channel Voltage-gated sodium channel subunit alpha Nav1.4 (Nav1.4)	CHEMBL4217988
BDBM50539742	40	0	0	0	0	0	0	0	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 5A 5-hydroxytryptamine receptor 6 5-hydroxytryptamine receptor 7 Adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Beta-1 adrenergic receptor D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Delta-type opioid receptor Histamine H1 receptor Histamine H2 receptor Histamine H3 receptor Histamine receptor (H3 and H4) Kappa-type opioid receptor Monoamine transporter Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M1 and M3 Muscarinic acetylcholine receptor M2 and M4 Muscarinic acetylcholine receptor M2 and M5 Muscarinic acetylcholine receptor M5 Serotonin (5-HT) receptor Sigma intracellular receptor 2 Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	CHEMBL4642292
BDBM50540846	0	40	0	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Cytochrome P450 Cytochrome P450 1A Cytochrome P450 2A6 Cytochrome P450 2B6 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2E1 Cytochrome P450 3A5 (CYP3A5) Dipeptidyl peptidase 4 Dipeptidyl peptidase 8/9 Dipeptidyl peptidase 9	CHEMBL4646510
BDBM78577	5	34	1	0	0	0	0	0	1,3-beta-glucan synthase component GLS2 Antrax lethal toxin Bile salt export pump Calcium channel Calcium channel (Type L) Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Envelope glycoprotein Potassium voltage-gated channel subfamily H member 2 Sodium channel protein type 5 subunit alpha Sodium channel protein type I I alpha subunit Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-gated L-type calcium channel Voltage-gated L-type calcium channel alpha-1C subunit ubiquitin-conjugating enzyme E2 N	BEPRIDIL BEPRIDIL HYDROCHLORIDE Bepridil MLS000028456 N-[3-(2-methylpropoxy)-2-(1-pyrrolidinyl)propyl]-N-(phenylmethyl)aniline;hydrochloride N-[3-(2-methylpropoxy)-2-pyrrolidin-1-yl-propyl]-N-(phenylmethyl)aniline;hydrochloride N-benzyl-N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]aniline;hydrochloride SMR000058419 benzyl-(3-isobutoxy-2-pyrrolidino-propyl)-phenyl-amine;hydrochloride cid_50088
BDBM81766	40	0	0	0	0	0	0	0	SSTR2 SSTR3 SSTR4 SSTR5 Somatostatin receptor type 1 Somatostatin receptor type 2 Somatostatin receptor type 3 Somatostatin receptor type 4 Somatostatin receptor type 5	CAS_3086456 MK 678 NSC_3086456
BDBM82507	31	8	0	1	0	0	0	0	Aldehyde oxidase Cytochrome P450 2B6 D(2) dopamine receptor DRD1 Delta-type opioid receptor Kappa-type opioid receptor Mas-related G protein-coupled receptor X2 (MRGPRX2) Mu-type opioid receptor Norepinephrine transporter OPRD1 Opioid receptor Opioid receptors; mu & delta P-glycoprotein 1 Potassium voltage-gated channel subfamily H member 2 Sodium-dependent serotonin transporter Voltage-gated L-type calcium channel	(+/-)-Methadone CAS_5967-73-7 METHADONE Methadone-HCL,(-) NSC_22266
BDBM84979	38	2	0	0	0	0

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