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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
BDBM214798	κ opioid receptor (KOR D138A) κ opioid receptor (KOR D138N) κ opioid receptor (KOR E297A) κ opioid receptor (KOR H291A) κ opioid receptor (KOR H291F) κ opioid receptor (KOR I135A) κ opioid receptor (KOR I294A) κ opioid receptor (KOR I316A) κ opioid receptor (KOR K200A) κ opioid receptor (KOR K227A) κ opioid receptor (KOR L212A) κ opioid receptor (KOR M142A) κ opioid receptor (KOR M226A) κ opioid receptor (KOR Q115A) κ opioid receptor (KOR Y119A) κ opioid receptor (KOR Y119F) κ opioid receptor (KOR Y139A) κ opioid receptor (KOR Y139F) κ opioid receptor (KOR Y312A) κ opioid receptor (KOR Y312F) κ opioid receptor (KOR Y313A) κ opioid receptor (KOR Y313F) κ opioid receptor (KOR Y320A) κ opioid receptor (KOR Y320F) κ opioid receptor (KOR Y66A) Delta-type opioid receptor Kappa-type opioid receptor Mu-type opioid receptor Opioid receptors; mu and delta	28	2	0	25	0	0	0	0	Dynorphin A (1-17) YGGFLRRIRPKLK
BDBM25817	14-alpha sterol demethylase 14-alpha sterol demethylase Cyp51A Alpha-chymotrypsin Bcl-2-like protein 11 Beta-lactamase AmpC Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 11B1 Cytochrome P450 11B2 Cytochrome P450 121 Cytochrome P450 125 (CYP125) Cytochrome P450 142 (CYP142) Cytochrome P450 17A1 Cytochrome P450 19A1 Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 3A Cytochrome P450 51 Heme Oxygenase 1 (HO-1) Heme Oxygenase 2 (HO-2) Histone deacetylase Lanosterol 14-alpha demethylase Malate dehydrogenase cytoplasmic Multidrug resistance-associated protein 4 P-glycoprotein 1 P-glycoprotein 1 and 3 (MDR1a/MDR1b) Sterol 14α-demethylase (CYP51) Sterol 14-alpha demethylase (CYP51)	4	41	12	1	0	0	0	0	2-(2,4-difluorophenyl)-1,3-bis(1H-1,2,4-triazol-1-yl)propan-2-ol CHEMBL106 Diflucan Fluconazole Fluconazole (f) Fungata Triflucan US10221160, Fluconazole US9138393, Fluconazole US9144538, Fluconazole US9221791, Fluconazole US9556143, Fluconazole cid_3365
BDBM26265	GABAA Receptor Mutant, alpha-1 (A160C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (F99C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (G157C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (G200C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (S204C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (S205C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (T162C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (T206C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (V202C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1 (V211C), beta-2, gamma-2 GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (A79C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (Chimera) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (D56C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (L140C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (M130C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R132C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R144C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R185C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (R194C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T126C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T142C) GABAA Receptor Mutant, alpha-1, beta-2, gamma-2 (T81C) GABAA Receptor, alpha-1, beta-2, gamma-2 GABAA Receptor, alpha-2, beta-2, gamma-2 GABAA Receptor, alpha-3, beta-2, gamma-2 GABAA Receptor, alpha-4, beta-2, gamma-2 GABAA Receptor, alpha-5, beta-2, gamma-2 GABAA Receptor, alpha-6, beta-2, gamma-2 Sphingosine 1-phosphate receptor 3	28	1	0	0	0	0	0	0	(5S)-6-(5-chloropyridin-2-yl)-7-oxo-5H,6H,7H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate ESZ Estorra Eszopiclone Lunesta cid_5735
BDBM27216	Axin-1/Glycogen synthase kinase-3 beta CDK2/Cyclin A/Cyclin A1 CDK2/Cyclin E/G1/S-specific cyclin E2 Cdc2 Cell division control protein 28 Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3 Cyclin-Dependent Kinase 1 (CDK1) Cyclin-Dependent Kinase 2 (CDK2) Cyclin-Dependent Kinase 4 (CDK4) Cyclin-Dependent Kinase 5 (CDK5) Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent-like kinase 5 Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A Dual-specificity tyrosine-phosphorylation regulated kinase 1A Insulin receptor Mitogen-activated protein kinase 3 PKC alpha and beta-2 Protein kinase C (PKC) Protein kinase C alpha type Protein kinase C delta type Protein kinase C, epsilon Protein kinase C, eta Protein kinase C, gamma Protein kinase Pfmrk Proto-oncogene tyrosine-protein kinase Src Serine/threonine-protein kinase PAK 4 cAMP-dependent protein kinase (PKA)	2	42	0	0	0	0	0	0	(2R)-2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9H-purin-2-yl}amino)-3-methylbutan-1-ol 2,6,9-Trisubstitute purine, 1 CHEMBL23327 Purvalanol A
BDBM32020	12-Lipoxygenase (12-LOX) 15-Lipoxygenase (LoxA) 15-Lipoxygenase-2 (15-LOX-2) Arachidonate 15-lipoxygenase Arachidonate 5-lipoxygenase Caspase-1 Cyclooxygenase Estradiol 17-beta-dehydrogenase 1 Estradiol 17-beta-dehydrogenase 2 Estrogen receptor Gag-Pol polyprotein Glucose 6-phosphate dehydrogenase (G6PD) Heat shock protein HSP 90-alpha Hsf1 protein Leukotriene B4 receptor Lipoxygenase Lipoxygenase (LOX) Lipoxygenase (SLO) Lipoxygenase-1 POsterior Segregation family member (pos-1) RNA polymerase beta subunit (EC 2.7.7.6) RecName: Full=Zinc finger protein mex-5 Seed linoleate 9S-lipoxygenase Transient receptor potential cation channel subfamily A member 1 Transthyretin Tyrosinase glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase large T antigen tyrosine 3-monooxygenase/tryptophan 5-monooxygenase activation protein, gamma polypeptide	1	50	0	9	0	0	0	0	4-[4-(3,4-dihydroxyphenyl)-2,3-dimethyl-butyl]pyrocatechol 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol 4-[4-[3,4-bis(oxidanyl)phenyl]-2,3-dimethyl-butyl]benzene-1,2-diol BDBM166684 CHEMBL52 LOX inhibitor, N/A MLS000069451 NORDIHYDROGUAIARETIC ACID Nordihydroguaiaretic acid (NDGA) SMR000059049 US10857082, Compound 2.18 cid_4534
BDBM32102	Axin-1/Glycogen synthase kinase-3 beta Beta-catenin Beta-catenin/APC-R3 Beta-catenin/E-cadherin Beta-catenin/Tcf4 Catenin beta-1 Cathepsin B Cathepsin S DNA recombination protein RecA Dual Specificity Protein Phosphatase 1 Dual specificity phosphatase Cdc25B Dual specificity protein phosphatase (VHR) Heat shock protein HSP 90-alpha Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP Hematopoietic protein-tyrosine phosphatase (HEPTP) Lysine-specific demethylase 4A Lysine-specific demethylase 4C MKP-3 NAD-dependent deacetylase sirtuin 1 NAD-dependent deacetylase sirtuin 2 Nuclear receptor ROR-alpha Procathepsin L Sphingosine 1-phosphate receptor 1 Steroidogenic Factor 1 Transcription factor 4 Transcription factor 7-like 2 Tyrosine-protein kinase ABL1 nuclear receptor corepressor 2 isoform 2 photoreceptor-specific nuclear receptor	14	47	0	6	0	0	0	0	1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione 1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-quinone MLS000087831 SMR000024051 US9284299, PKF118-310 US9738628, Compound PKF118-310 cid_66541
BDBM357015	1,3-beta-glucan synthase component GLS2 Aurora kinase A/B Axin-1/Glycogen synthase kinase-3 beta CDK2/CycE Calmodulin/Proto-oncogene tyrosine-protein kinase Src Casein kinase I isoform alpha Casein kinase II subunit alpha Casein kinase II subunit alpha' Cyclin-Dependent Kinase 5 (CDK5) Cyclin-dependent kinase 2 Cyclin-dependent kinase 5 activator 1, p25 Cyclin-dependent kinase 5 regulatory subunit 1 Cyclin-dependent-like kinase 5 Focal adhesion kinase 1/vascular endothelial growth factor receptor 3 Inhibitor of nuclear factor kappa-B kinase subunit epsilon Insulin-like growth factor I receptor Interleukin-1 receptor-associated kinase 4 Mitogen-activated protein kinase kinase kinase 8 Non-receptor tyrosine-protein kinase TYK2 Proto-oncogene tyrosine-protein kinase Src Serine/threonine-protein kinase Aurora-A Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase pim-1 Tyrosine-protein kinase BTK Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase receptor FLT3 Voltage-gated potassium channel	0	50	0	0	0	0	0	0	US10214511, Example 19 US10676460, Example 19
BDBM47167	Angiopoietin-1 receptor Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Axin-1/Glycogen synthase kinase-3 beta CDK2/Cyclin A/Cyclin A1 Cyclin-Dependent Kinase 4 (CDK4) Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Ephrin type-B receptor 4 Epidermal growth factor receptor Focal adhesion kinase 1 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor I receptor Mast/stem cell growth factor receptor Kit NUAK family SNF1-like kinase 1 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase Nek2 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK4 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 3	0	61	0	0	0	0	0	0	CHEMBL201511 US8957103, Z1 US9364459, A
BDBM50005836	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 4 (5-HT4) Adrenergic receptor alpha-1 Adrenergic receptor alpha-2 Adrenergic receptor beta Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Beta-1 adrenergic receptor Beta-2 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor HTR4 HTR6 Melanin-concentrating hormone receptor 2/HERG Potassium voltage-gated channel subfamily H member 2 Serotonin (5-HT) receptor Serotonin 1 (5-HT1) receptor Serotonin 2 (5-HT2) receptor Serotonin 2a (5-HT2a) receptor Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Sodium channel protein type 5 subunit alpha Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-gated L-type calcium channel ubiquitin-conjugating enzyme E2 N	48	40	0	2	0	0	0	0	4-Amino-5-chloro-N-{1-[3-(4-fluoro-phenoxy)-propyl]-3-methoxy-piperidin-4-yl}-2-methoxy-benzamide 4-amino-5-chloro-N-(1-(3-(4-fluorophenoxy)propyl)-3-methoxypiperidin-4-yl)-2-methoxybenzamide CHEMBL560739 CISAPRIDE PROPULSID US10167299, Cisapride US10800776, Example Cisapride US9221790, Cisapride cid_5311047
BDBM50008923	Bacteriophage T4 DNA Ligase Bile salt export pump CAM-RNase A Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cystic fibrosis transmembrane conductance regulator DNA topoisomerase DNA topoisomerase 1 DNA topoisomerase I DNA topoisomerase I (Topo I) DNA topoisomerase type IB small subunit Deoxyribonuclease-1 Deoxyribonuclease-2-alpha Eukaryotic translation initiation factor 2-alpha kinase 3 Heterogeneous nuclear ribonucleoprotein A1 Human immunodeficiency virus type 1 integrase Multidrug resistance-associated protein 4 Reverse transcriptase Serine/threonine-protein kinase Chk1/2 Somatostatin receptor Telomerase reverse transcriptase Topoisomerase II alpha (HuTopoIIα) Type-2 restriction enzyme BamHI Type-2 restriction enzyme EcoRI Type-2 restriction enzyme HindIII Type-2 restriction enzyme PstI Type-2 restriction enzyme ScaI Tyrosyl-DNA phosphodiesterase 1 Tyrosyl-DNA phosphodiesterase 2	0	49	1	6	0	0	0	0	(S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]florene-3,13-dione (S)-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (CPT, Camptothecin) 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (Camptothecin) 4-Ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione (camptothecin or CPT) 4-ethyl-4-hydroxy-(4S)-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14-dione CHEMBL65 Camptothecin (CT) camptothecine cid_24360
BDBM50009073	Adenosine receptor A1 Adrenergic receptor alpha-1 Adrenergic receptor alpha-2 Adrenergic receptor beta Bile acid transporter Bile salt export pump CYSLTR2 Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cysteinyl leukotriene receptor Cysteinyl leukotriene receptor 1 Cytochrome P450 2C9 D(2) dopamine receptor EBifunctional epoxide hydrolase 2 Histamine H1 receptor Leukotriene 2 Leukotriene B4 receptor Mu-type opioid receptor Multidrug and toxin extrusion protein 1 Multidrug and toxin extrusion protein 2 Multidrug resistance-associated protein 4 Muscarinic acetylcholine receptor Nuclear receptor subfamily 1 group I member 2 Peroxisome proliferator-activated receptor Platelet activating factor receptor Serotonin 2 (5-HT2) receptor Solute carrier family 22 member 2 cPLA2 C2 streptokinase A precursor	16	29	0	7	0	0	0	0	4-(5-cyclopentyloxycarbonylamino-1-methyl-1H-indol-3-ylmethyl)-3-methoxy-N-o-tolylsulfonylbenzamide CHEMBL603 ZAFIRLUKAST cyclopentyl 3-(2-methoxy-4-((o-tolylsulfonyl)carbamoyl)benzyl)-1-methylindole-5-carbamate cyclopentyl 3-[2-methoxy-4-(2-methylphenylsulfonylcarbamoyl)benzyl]-1-methyl-1H-indol-5-ylcarbamate
BDBM50028421	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 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 Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Dopamine D1 receptor Dopamine receptor HTR6 HTR7 Histamine H1 receptor Multidrug resistance-associated protein 4 Serotonin (5-HT) receptor	40	6	0	0	0	0	0	0	9-Methylsulfanylmethyl-7-propyl-4,6,6a,7,8,9,10,10a-octahydro-indolo[4,3-fg]quinoline; compound with methanesulfonic acid CHEMBL1275 LY-127809 PERGOLIDE MESYLATE Pergolide Permax
BDBM50030881	Axin-1/Glycogen synthase kinase-3 beta Casein kinase I isoform delta Cyclin-dependent kinase 2 Cyclin-dependent kinase 4 Cyclin-dependent kinase 6 Dual specificity mitogen-activated protein kinase kinase 1 Ephrin type-B receptor 4 Epidermal growth factor receptor Hepatocyte growth factor receptor Inhibitor of nuclear factor kappa-B kinase subunit beta Insulin-like growth factor I receptor Interleukin-1 receptor-associated kinase 4 Mitogen-activated protein kinase 1 Mitogen-activated protein kinase 11 Protein kinase C alpha type RAC-alpha serine/threonine-protein kinase Rho-associated protein kinase 2 Ribosomal protein S6 kinase alpha-3 Serine/threonine-protein kinase B-raf Serine/threonine-protein kinase Chk1/2 Serine/threonine-protein kinase MST2 Serine/threonine-protein kinase Nek2 Serine/threonine-protein kinase PLK3 Testis-specific serine/threonine-protein kinase 2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1	0	32	0	0	0	0	0	0	CHEMBL3356117
BDBM50035057	5-HT3A Serotonin Receptor 5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A Alpha-1A adrenergic receptor Beta-1 adrenergic receptor CCKBR Calcium channel (DHP) Calcium release-activated calcium channel Cysteinyl leukotriene receptor 1 D(1A) dopamine receptor D(2) dopamine receptor Gamma-aminobutyric acid receptor subunit alpha-1 Glutamate receptor ionotropic, NMDA 1 Glycine HTR1D HTR2C Histamine H1 receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M2 Muscarinic acetylcholine receptor M3 Opioid receptors; mu & delta Serotonin (5-HT) receptor Serotonin 1B/1D receptor Sigma non-opioid intracellular receptor 1 Substance K TRH adrenergic Alpha2	42	0	1	0	0	0	0	0	(eltoprazine)1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazine 1-(2,3-Dihydro-benzo[1,4]dioxin-5-yl)-piperazine CHEMBL282614 Eltoprazine
BDBM50049757	Acetylcholine Binding protein Acetylcholine receptor Acetylcholine receptor protein alpha chain/beta chain/delta chain /gamma chain Acetylcholine receptor protein alpha/beta/delta/gamma chain Acetylcholine receptor subunit beta-like 2 Cholinergic, Nicotinic Alpha1Beta1DeltaGamma Cholinergic, Nicotinic Alpha3Beta2 Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5 Cholinergic, Nicotinic Muscle Muscarinic acetylcholine receptor Neuronal acetylcholine receptor Neuronal acetylcholine receptor Alpha-2/Beta-4 Neuronal acetylcholine receptor Alpha-3/Beta-2 Neuronal acetylcholine receptor Alpha-3/Beta-4 Neuronal acetylcholine receptor Alpha-4/Beta-2 Neuronal acetylcholine receptor protein alpha-2 subunit/subunit beta-4 Neuronal acetylcholine receptor protein alpha-2/beta-2 subunit Neuronal acetylcholine receptor protein alpha-3/beta-2 subunit Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit Neuronal acetylcholine receptor protein alpha-7 subunit Neuronal acetylcholine receptor subunit alpha-2 Neuronal acetylcholine receptor subunit alpha-3 Neuronal acetylcholine receptor subunit alpha-4 Neuronal acetylcholine receptor subunit beta-4 Neuronal acetylcholine receptor; alpha2/beta2 Neuronal acetylcholine receptor; alpha3/beta4 Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon n-AChR	196	6	11	28	0	0	0	0	()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (+)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (+)-epibatidine (-)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (1R,2R,4S)-epibatidine (2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane hydrochloride (2R,4S)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (2R,4S)-2-(6-Iodo-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (2R,4S)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (R)-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (R)-2-(6-Chloro-pyridin-3-yl)-7-methyl-7-aza-bicyclo[2.2.1]heptane 2-(6-Chloro-pyridin-3-yl)-5-methyl-7-aza-bicyclo[2.2.1]heptane 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane (epibatidine) 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(+/-) epibatidine 2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane(Epibatidine) 2-(6-Chloro-pyridin-3-yl)-7-azonia-bicyclo[2.2.1]heptane 2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane 2-Pyridin-3-yl-7-aza-bicyclo[2.2.1]heptane CHEMBL6623 EPIBATIDINE Epibatidine, (+/-) Epibatidine-(+) Epibatidine-(-) exo-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane rac-(2R)-2-(6-chloropyridin-3-yl)-7-aza-bicyclo[2.2.1]heptane
BDBM50232153	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 Adrenergic alpha1B Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2C adrenergic receptor Beta-2 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 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 Serotonin 1B/1D receptor Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter	33	2	0	0	0	0	0	0	(1-(4-fluorophenethyl)piperidin-4-yl)(2,3-dimethoxyphenyl)methanol (2,3-Dimethoxyphenyl)-(1-(2-p-fluorophenylethyl)-piperidine-4-yl)-methanol CHEMBL257283 MDL 100907 MDL-100907
BDBM50240779	ALK tyrosine kinase receptor Cyclin-dependent kinase 1 Cyclin-dependent kinase 4 Cyclin-dependent kinase 6 Ephrin type-A receptor 2 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor I receptor Leukocyte tyrosine kinase receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	0	30	0	0	0	0	0	0	CHEMBL4067871
BDBM50240781	ALK tyrosine kinase receptor Cyclin-dependent kinase 1 Cyclin-dependent kinase 4 Cyclin-dependent kinase 6 Ephrin type-A receptor 2 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor I receptor Leukocyte tyrosine kinase receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	0	30	0	0	0	0	0	0	CHEMBL4105329
BDBM50240782	ALK tyrosine kinase receptor Cyclin-dependent kinase 1 Cyclin-dependent kinase 4 Cyclin-dependent kinase 6 Ephrin type-A receptor 2 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 2 Fibroblast growth factor receptor 3 Fibroblast growth factor receptor 4 Hepatocyte growth factor receptor Insulin receptor Insulin-like growth factor I receptor Leukocyte tyrosine kinase receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase ROS Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Mer Tyrosine-protein kinase receptor TYRO3 Tyrosine-protein kinase receptor UFO Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	0	30	0	0	0	0	0	0	CHEMBL4075917
BDBM50244809	5-hydroxytryptamine receptor 2B Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Arachidonate 5-lipoxygenase Beta-1 adrenergic receptor Beta-3 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Epidermal growth factor receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M3 Muscarinic acetylcholine receptor M4 Neurokinin 2 receptor Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Potassium voltage-gated channel subfamily H member 2 Prostaglandin E2 receptor Prostaglandin E2 receptor EP4 subtype Prostaglandin F2-alpha receptor Prostanoid DP receptor Prostanoid IP receptor Prostanoid TP receptor Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	0	28	0	7	0	0	0	0	(2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl]phenoxy]propanoicAcid (R)-2-(3-((3-(4-chlorobenzoyl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl)methyl)phenoxy)propanoic acid CHEMBL461571
BDBM50271706	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 Alpha-1A adrenergic receptor D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor Delta-type opioid receptor Histamine H1 receptor Histamine H2 Receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid 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 Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	28	0	2	0	0	0	0	0	CHEMBL482496 N-(2-[3H-OCH3]benzyl)-2-(2-[3H-OCH3]-5-methoxy-4-iodophenyl)ethylamine
BDBM50365262	BRD4 - BD1 BRD4 BD1 (aa 42-168) BRD4 bromodomain 1 BRD4 bromodomain 2 Bromodomain and extra-terminal motif (BET) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 D144A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 D145A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 I146A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 L94A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 M149A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 N140A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 P82A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 W81A) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 WT) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 Y139F) Bromodomain protein 4 bromodomain 1 (BRD4 BD1 Y97F) Bromodomain testis-specific protein Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 Bromodomain-containing protein 4 (BRD4) Bromodomain-containing protein 4 (BRD4) (aa 44-168) Bromodomain-containing protein 4 Bromo 1 domain(BRD4 BD1) Bromodomain-containing protein 4 Bromo 2 domain(BRD4 BD2) Bromodomain-containing protein 4 Isoform C CREB-binding protein PI3-kinase class I Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	16	117	71	1	0	0	0	1	(S)-JQ1 (1) CHEMBL1957266 JQ1 US10124009, Compound (S)-JQ1 US10202360, Example JQ-1 US10308662, Compound JQ-1 US10407441, Compound (S)-JQ1 US10617680, Example JQ-1 US10881668, Compound JQ1 US10925881, Name (S)-JQ1 US9320741, (S)-JQ1 US9695172, JQ1
BDBM50383191	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)	4	36	0	0	0	0	0	0	CHEMBL2031893
BDBM50396534	Aurora kinase B BDNF/NT-3 growth factors receptor Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Discoidin domain-containing receptor 2 Eukaryotic translation initiation factor 2-alpha kinase 1 Eukaryotic translation initiation factor 2-alpha kinase 3 High affinity nerve growth factor receptor Inhibitor of nuclear factor kappa-B kinase subunit epsilon Interferon-induced, double-stranded RNA-activated protein kinase Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 10/Receptor-interacting serine/threonine-protein kinase 1 Mitogen-activated protein kinase kinase kinase 10 Mitogen-activated protein kinase kinase kinase 11 Mitogen-activated protein kinase kinase kinase 9 (MLK1) Mitogen-activated protein kinase kinase kinase kinase 5 NT-3 growth factor receptor Proto-oncogene tyrosine-protein kinase receptor Ret Serine/threonine-protein kinase Nek4 Serine/threonine-protein kinase WNK2 Tyrosine-protein kinase BRK Tyrosine-protein kinase Lck Tyrosine-protein kinase Mer Tyrosine-protein kinase Yes Tyrosine-protein kinase receptor UFO myosin light chain kinase 2	0	31	0	0	0	0	0	0	CHEMBL2171124
BDBM50429477	Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B CaM kinase IV Cyclin-dependent kinase 2 Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 2 Insulin-like growth factor I receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase kinase kinase 9 (MLK1) Myotonin-protein kinase PAK 1/CDC42 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Protein delta homolog 1 RAF proto-oncogene serine/threonine-protein kinase Receptor protein-tyrosine kinase erbB-4 Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase Chk1/2 Serine/threonine-protein kinase PAK 4 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase pim-1 Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha Tyrosine-protein kinase CTK Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 p21-Activated kinase 2 (PAK2)	0	34	0	0	0	0	0	0	CHEMBL2332840
BDBM50536410	3',5'-cyclic phosphodiesterase Aurora kinase A/B Aurora kinase A/Targeting protein for Xklp2 Axin-1/Glycogen synthase kinase-3 beta Choline kinase alpha Choline/ethanolamine kinase DNA-PK/Ku70/Ku85 Diacylglycerol kinase zeta Epidermal growth factor receptor Inhibitor of NF-kappa-B kinase alpha/beta Leucine-rich repeat serine/threonine-protein kinase 2 Mitogen-activated protein kinase 14 Mitogen-activated protein kinase kinase kinase 5 Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform Phosphatidylinositol 4-kinase alpha (PI4KA) Phosphatidylinositol 4-kinase type 2-alpha Phosphatidylinositol 4-kinase, PI4K Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta Phosphatidylinositol-5-phosphate 4-kinase type-2 alpha Rho-associated protein kinase 1 Sphingosine kinase 1 Sphingosine kinase 2 Tyrosine-protein kinase BTK Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK2 Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK mTOR/FKBP12A/FKBP12B	0	32	0	0	0	0	0	0	CHEMBL4561692
BDBM81939	1,3-beta-glucan synthase component GLS2 ATP-binding cassette sub-family G member 2 Bile salt export pump Calcium channel Calcium channel (Type L) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Chloroquine resistance transporter Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Multidrug resistance protein 1/Multidrug resistance associated protein 1 Multidrug resistance-associated protein 4 Muscarinic acetylcholine receptor M2 P-glycoprotein 1 P-gp nanodisc·BD-verapamil Peripheral-Type Benzodiazepine Receptor Potassium voltage-gated channel subfamily H member 2 Sodium channel protein type 5 subunit alpha Sodium channel protein type I I alpha subunit Solute carrier family 22 member 1 Solute carrier organic anion transporter family member 1B1 (OATP1B1) Voltage-dependent L-type calcium channel subunit alpha-1C Voltage-gated L-type calcium channel Voltage-gated L-type calcium channel alpha-1C subunit	17	92	0	20	0	0	0	0	CAS_52-53-9 NSC_62969 VERAPAMIL
BDBM85092	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 1B 5-hydroxytryptamine receptor 1D 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2B 5-hydroxytryptamine receptor 2C 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 Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Monoamine Oxidase Type B (MAO-B) Monoamine oxidase Multidrug resistance-associated protein 4 Norepinephrine transporter Sodium-dependent noradrenaline transporter adrenergic Alpha2	36	4	0	0	0	0	0	0	CAS_3605-01-4 NSC_4850 Piribedil
BDBM8903	ATP-binding cassette sub-family G member 2 Adrenaline alpha2 Adrenergic Alpha Androgen Receptor Androgen receptor Androgen receptor/Baculoviral IAP repeat-containing protein 2 Anti-estrogen binding site (AEBS) Bile salt export pump Bile salt export pump (BSEP) C-8 sterol isomerase Corticosteroid-binding globulin Cytochrome P450 2C9 Estrogen receptor G-protein coupled bile acid receptor 1 Glucocorticoid receptor Intestinal fatty acid-binding protein (hIFABP) Liver fatty acid binding protein (rat L-FABP) Mineralocorticoid receptor Organic anion-transporting polypeptide 1D1 (Oatp1d1) P-glycoprotein 1 P2X purinoceptor 3 Progesterone receptor Sigma non-opioid intracellular receptor 1 Solute carrier family 22 member 2 Solute carrier family 22 member 3 Steroid 5-alpha-reductase Sterol 14α-demethylase (CYP51) Sterol O-acyltransferase 1 Testis-specific androgen-binding protein	38	52	4	24	0	0	0	0	(1S,2R,10S,11S,14S,15S)-14-acetyl-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one CHEMBL103 progesterone
BDBM8960	3',5'-cyclic phosphodiesterase Acetylcholinesterase Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) Acyl coenzyme A:cholesterol acyltransferase Amine oxidase (flavin-containing) A Amine oxidase [flavin-containing] B Beta-secretase 1 Bile salt export pump Bile salt export pump (BSEP) Butyrylcholinesterase Butyrylcholinesterase (BChE) Butyrylcholinesterase (BuChE) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Carboxylic ester hydrolase Choline Acetyltransferase Cholinesterase Cholinesterases Cholinesterases; ACHE & BCHE Cytochrome P450 3A Histamine H3 receptor Monoamine Oxidase Type B (MAO-B) Monoamine oxidase Multidrug resistance-associated protein 4 P-glycoprotein 1 Potassium voltage-gated channel subfamily H member 2 Sigma non-opioid intracellular receptor 1 Sigma-1 receptor Voltage-gated L-type calcium channel	21	503	0	1	0	0	0	0	(+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one Aricept Aricept odt CHEMBL1678 CHEMBL2337271 CHEMBL502 DONEPEZIL HYDROCHLORIDE Donepezil Donepzil E2020 US8999994, Donepezil US9346818, DPH US9586925, Donepezil US9663465, Donepezil