Search by Compound Name

---

Compound Name:

Compounds Sorted by Binding Targets per Compound

1   2   3   4   5   6   7   8   9   10   11   12   13   14   15   16   17   18   19   20   21   
22   23   24   25   26   27   28   29   30   31   32   33   34   35   36   37   38   39   40   41   42   
43   44   45   46   47   48   49   50   51   52   53   54   55   56   57   58   59   60   61   62   63   
64   65   66   67   68   69   70   73   74   75   76   77   79   81   84   86   89   95   96   100   108   
109   120   124   130   137   143   154   156   168   186   224   237   259   276   278   284   303   304   310   314   323   
339   369   370   371   372   373   374   375   376   377   378   380   381   383   384   385   386   387   388   389   391   
393   394   395   397   401   402   405   407   417   418   427   428   442   445   512   

Compounds Sorted Alphabetically

Compound Name (alphabetical)	Binding Targets	Enz. Inhib. Data							ITC Data	Alternate Compound Names
		Ki	IC50	Kd	EC50	Koff	Kon	Other
BDBM10855	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family beta-Carbonic Anhydrase	94	3	0	0	0	0	0	0	2-aminobenzene-1-sulfonamide CHEMBL6705 US10172837, 2-aminobenzenesulfonamide aromatic/heteroaromatic sulfonamide 1 orthanilamide 17
BDBM10869	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase beta-Carbonic Anhydrase	112	0	0	0	0	0	0	0	5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-sulfonamide CHEMBL6753 aromatic/heteroaromatic sulfonamide 14
BDBM10876	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase beta-Carbonic Anhydrase	114	2	0	0	0	0	0	0	4-(hydroxymethyl)benzene-1-sulfonamide CHEMBL6919 JMC522226 Compound 20 JMC523116 Compound 20 aromatic/heteroaromatic sulfonamide 21
BDBM10877	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Beta-carbonic anhydrase Carbonate dehydratase Carbonic Anhydrase (hpCA) Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase IV Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic Anhydrase XV Carbonic anhydrase Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase, alpha family Delta carbonic anhydrase beta-Carbonic Anhydrase	120	2	2	0	0	0	0	0	4-(2-hydroxyethyl)benzene-1-sulfonamide CHEMBL6784 JMC522226 Compound 21 JMC523116 Compound 21 aromatic/heteroaromatic sulfonamide 22
BDBM139539	Angiopoietin-1 receptor CaM kinase II Casein kinase I isoform epsilon Cyclin-dependent kinase 6 Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 3 Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Protein kinase C (PKC) Proto-oncogene tyrosine-protein kinase Src Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase Nek1 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase PLK2 Serine/threonine-protein kinase WNK2 Serine/threonine-protein kinase pim-3 Tyrosine-protein kinase ABL1 Tyrosine-protein kinase ABL1(E255K) Tyrosine-protein kinase Blk Tyrosine-protein kinase JAK1 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2	0	33	0	0	0	0	0	0	US8889696, 39
BDBM18137	2'-deoxynucleoside 5'-phosphate N-hydrolase 1 5'-AMP-activated protein kinase Complex 1 ADORA3 AMPK alpha2/beta1/gamma1 Adenosine Receptors A2a (A2a) Adenosine receptor A1 Adenylate kinase 1 Adenylate kinase 2 Axin-1/Glycogen synthase kinase-3 beta Cholecystokinin Deoxyribonucleoside 5'-monophosphate N-glycosidase (Rcl) Fructose-1,6-bisphosphatase Fructose-1,6-bisphosphatase 1 (FBPase) Human immunodeficiency virus type 1 protease Inosine-5'-monophosphate dehydrogenase Ketopantoate reductase Mitogen-activated protein kinase kinase kinase 7 P2Y purinoceptor 1 Phospholipase C, gamma 1 Phospholipase C-beta-3 Proto-oncogene tyrosine-protein kinase Src Purinergic receptor P2Y1 Purinergic receptor P2Y11 Purinergic receptor P2Y2 Transient receptor potential cation channel subfamily M member 2 tRNA synthetase (GlyRS)	11	16	5	11	1	1	0	0	AMP CHEMBL752 [(2R,3S,4R,5R)-5-adenin-9-yl-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl dihydrogen phosphate;hydrate adenosine 5 -monophosphate {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}phosphonic acid
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 (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)) Mono [ADP-ribose] polymerase PARP16 Poly [ADP-ribose] polymerase 1 Poly [ADP-ribose] polymerase 10 Poly [ADP-ribose] polymerase 11 Poly [ADP-ribose] polymerase 12 Poly [ADP-ribose] polymerase 14 Poly [ADP-ribose] polymerase 15 Poly [ADP-ribose] polymerase 2 Poly [ADP-ribose] polymerase 4 Poly [ADP-ribose] polymerase tankyrase-1 Poly [ADP-ribose] polymerase tankyrase-2 Protein mono-ADP-ribosyltransferase PARP3	0	45	0	0	0	0	0	0	4-[(4-Carbamoylcyclohexyl)oxy]cyclohexane-1-carboxamide (OUL35)
BDBM21278	Bile salt export pump CNR1 CNR2 Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cannabinoid receptor Cannabinoid receptor 1 Cannabinoid receptor 1 (CB1 D338A) Cannabinoid receptor 1 (CB1 H219A) Cannabinoid receptor 1 (CB1 I218A) Cannabinoid receptor 1 (CB1 I339A) Cannabinoid receptor 1 (CB1 L341A) Cannabinoid receptor 1 (CB1 P221A) Cannabinoid receptor 1 (CB1 R340A) Cannabinoid receptor 1 (CB1 T344A) Cannabinoid receptor 2 Cytochrome P450 1A Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A G-protein coupled receptor 55 Liver fatty acid binding protein (FABP1) Multidrug resistance protein 1/Multidrug resistance associated protein 1 Multidrug resistance-associated protein 4 N-arachidonyl glycine receptor Potassium voltage-gated channel subfamily H member 2	149	78	10	22	0	0	0	0	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide Acomplia CHEMBL111 CHEMBL558598 RIMONABANT HYDROCHLORIDE Rimonabant SR 141716A SR141716 SR141716A [3H]Rimonabant [3H]SR141716A
BDBM214799	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) Kappa-type opioid receptor	27	0	0	26	0	0	0	0	1xx
BDBM22857	Acetylcholinesterase Acyl-CoA: cholesterol acyltransferase (ACAT) Apoptotic peptidase activating factor 1 Carboxylesterase 2 Caspase-9 Cholinesterases Factor XIIa Focal adhesion kinase 1 Human rhinovirus A protease Leukocyte common antigen PTK2B protein tyrosine kinase 2 beta (PTK2B) Papain Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Protein-tyrosine phosphatase 1B Serine/threonine-protein kinase PLK1 Telomerase reverse transcriptase Valosin-containing protein cysteine protease ATG4B isoform a nuclear receptor corepressor 2 isoform 2 perilipin-1 perilipin-5 photoreceptor-specific nuclear receptor protein-arginine deiminase type-4 tyrosyl-DNA phosphodiesterase 2	6	26	0	2	0	0	0	0	1,2-Dione-Based Compound, 14 9,10-dihydrophenanthrene-9,10-dione CHEMBL51931 Phenanthrene-9,10 dione cid_6763
BDBM23416	Aldose reductase Alpha-amylase Arginase Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 13 (CA XIII) Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 3 (CA III) Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Cyclooxygenase Death-associated protein kinase 1 Dihydroorotate dehydrogenase (fumarate) Lymphocyte differentiation antigen CD38 Pancreatic triacylglycerol lipase Prostaglandin G/H synthase (cyclooxygenase) Prothrombin Xanthine dehydrogenase/oxidase alpha-Glucosidase (α-Glucosidase)	18	14	2	0	0	0	1	0	α-CA inhibitor, 3 (+)-Catechin (2R,3S)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol CHEMBL311498 Catechin D-Catechin
BDBM2483	Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cholesterol 24-hydroxylase (CH24H) Gag-Pol polyprotein Gag-Pol polyprotein (Capsid Protein) HIV-1 Reverse Transcriptase HIV-1 Reverse Transcriptase Mutant (K103N) HIV-1 Reverse Transcriptase Mutant (L100I) HIV-1 Reverse Transcriptase Mutant (V106A) HIV-1 Reverse Transcriptase Mutant (V179D) HIV-1 Reverse Transcriptase Mutant (Y181C) HIV-1 Reverse Transcriptase Mutant (Y181I) HIV-1 Reverse Transcriptase Mutant (Y188L) HIV-1 Reverse Transcriptase RNase H Mutant (D67N/K70R/T215F/K219Q) HIV-1 Reverse Transcriptase RNase H Mutant (L100I/K103N) HIV-1 Reverse Transcriptase RNase H Mutant (V106A/Y181C) HIV-1 Reverse Transcriptase RNase H Mutant (Y181C) HIV-1 Reverse Transcriptase RNase H Mutant (Y188L) HIV-1 Reverse transcriptase (HIV-1 RT) Human immunodeficiency virus type 1 reverse transcriptase Multidrug resistance-associated protein 4 Reverse Transcriptase Reverse transcriptase Reverse transcriptase (HIV-1 RT)(1-350) envelope glycoprotein	29	145	3	20	0	0	0	1	(4S)-6-chloro-4-(2-cyclopropylethynyl)-4-(trifluoromethyl)-2,4-dihydro-1H-3,1-benzoxazin-2-one CHEMBL223228 DMP-266 EFV Efavirenz Efavirenz (EFV) L-743,726 Sustiva
BDBM26187	Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase 2 (Can2) 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 13 (CA XIII) Carbonic anhydrase 15 Carbonic anhydrase 2 Carbonic anhydrase 3 (CA III) Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrases; II & IX Endolysin Estradiol receptor beta (ERβ) Estrogen receptor GABA-A receptor; alpha-1/beta-2/gamma-2 Lysozyme(L99A/M102Q) PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) beta-Carbonic Anhydrase	97	3	4	2	0	0	0	2	α-CA inhibitor, 11 CHEMBL14060 US9688816, 2 phenol
BDBM29278	β-Carbonic anhydrase 2 (CA 2) Alpha carbonic anhydrase Astrosclerin-3 Carbonate dehydratase Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase (mtCA 3) Carbonic Anhydrase 2 (Can2) Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB 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 Carbonic anhydrase, alpha family Carbonic anhydrases; II & IX Cholinesterases Delta carbonic anhydrase Protein-arginine N-methyltransferase 1 RmtA beta-Carbonic Anhydrase	109	3	0	0	0	0	0	0	CHEMBL310671 Garantose SAC Saccharimide Saccharin
BDBM31712	10 kDa chaperonin 60 kDa chaperonin BZLF2 Estradiol receptor beta (ERβ) Estrogen receptor Grp78 HSP60/HSP10 Heat Shock 70kDa Protein 1 Induced myeloid leukemia cell differentiation protein Mcl-1 Macrophage migration inhibitory factor (MIF) Neuropeptide Y receptor type 1 Neuropeptide Y receptor type 2 POsterior Segregation family member (pos-1) Papain-like protease (PLpro) Plasminogen activator inhibitor-1 RecName: Full=Zinc finger protein mex-5 Replicase polyprotein 1ab Thiosulfate sulfurtransferase Valosin-containing protein Zinc aminopeptidase envelope glycoprotein eukaryotic translation initiation factor 4 gamma, 1 isoform 4 exonuclease V (RecBCD complex), alpha chain heat shock 70kDa protein 8 isoform 1 large T antigen streptokinase A precursor	3	28	0	6	0	0	0	0	HEXACHLOROPHENE MLS000028433 SMR000058356 cid_3598
BDBM4374	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Aldo-keto reductase family member 1B10 (AKR1B10) Aldose reductase Aldose reductase (AR) Alpha-glucosidase MAL12 Alpha-glucosidase MAL62 Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Epidermal growth factor receptor Estrogen receptor Hydroxycarboxylic acid receptor 2 Protein tyrosine phosphatase 1B (PTP1B) Tyrosinase Xanthine dehydrogenase	22	12	0	2	0	0	0	0	(2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (8) CHEMBL66879 p-Coumaric Acid p-Hydroxycinnamic acid (p-HCA) p-hydroxycinnamic acid p-hydroxycinnamic acid (M4)
BDBM4810	ALK tyrosine kinase receptor Angiopoietin-1 receptor Bone morphogenetic protein Cyclin-dependent kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Insulin-like growth factor I receptor Macrophage colony stimulating factor receptor Macrophage-stimulating protein receptor Mast/stem cell growth factor receptor Kit Oxytocin receptor POsterior Segregation family member (pos-1) Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret RecName: Full=Zinc finger protein mex-5 Receptor tyrosine-protein kinase erbB-2 Tubulin beta chain Tyrosine-protein kinase ABL1 Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 3 Vasopressin V1a receptor	0	78	0	6	0	0	0	0	(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,3-dihydro-1H-indol-2-one 3-[(2,4-dimethylpyrrol-5-yl)methylidenyl]-indolin-2-one CHEMBL276711 SU5146 SU5416 Semaxanib US10189853, semaxanib US9422297, SU5416 cid_5329098
BDBM50005711	Cereblon/Histone deacetylase 1 Cereblon/Histone deacetylase 2 Cereblon/Histone deacetylase 4 Cereblon/Histone deacetylase 6 HDAC3/NCOR2 Hdac5 protein Histone deacetylase Histone deacetylase 1 Histone deacetylase 1/2/3 Histone deacetylase 10 Histone deacetylase 11 Histone deacetylase 2 Histone deacetylase 3 Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) Histone deacetylase 4 Histone deacetylase 4 (HDAC4) (aa 627-1085) Histone deacetylase 5 Histone deacetylase 6 Histone deacetylase 7 Histone deacetylase 7 (HDAC7) (aa 518-592) Histone deacetylase 8 Histone deacetylase 8 (HDAC8) Histone deacetylase 9 Histone deacetylase 9 (aa 604-1066) Leukotriene A4 hydrolase Sirtuin-6 (SIRT6)	28	240	6	1	0	0	0	1	CHEBI:46024 GNF-Pf-1011 TRICHOSTATIN Trichostatin A Trichostatin A (TSA) US10011611, Trichostatin A US10722597, Compound Trichostatin US9265734, TSA
BDBM50043280	AGTR1 Angiotensin II AT1B Angiotensin II receptor Angiotensin II receptor (AT-1) type-1 Angiotensin-converting enzyme Bile salt export pump Bile salt export pump (BSEP) Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 2J2 Cytochrome P450 3A Glycine receptor subunit alpha-1 Multidrug and toxin extrusion protein 1 Multidrug resistance-associated protein 4 PPAR alpha/gamma Peroxisome proliferator-activated receptor Peroxisome proliferator-activated receptor alpha Peroxisome proliferator-activated receptor alpha (PPAR alpha) Peroxisome proliferator-activated receptor delta Peroxisome proliferator-activated receptor gamma Solute carrier organic anion transporter family member 1B1 (OATP1B1) Solute carrier organic anion transporter family member 1B3 (OATP1B3)	7	30	0	17	0	0	0	0	4'-((1,4'-dimethyl-2'-propyl(2,6'-bi-1H-benzimidazol)-1'-yl)methyl)-(1,1'-biphenyl)-2-carboxylic acid 4'-((4-methyl-6-(1-methyl-2-benzimidazolyl)-2-propyl-1-benzimidazolyl)methyl)-2-biphenylcarboxylic acid 4'-[(1,4'-dimethyl-2'propyl[2,6'-bi-1H-benzimidazol]-1'-yl)methyl]-[1,1'-biphenyl]-2-carboxylic acid 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl][1,1'-biphenyl]-2-carboxylic acid 4'-[(1,7'-dimethyl-2'-propyl-1H,3'H-2,5'-bibenzimidazol-3'-yl)methyl]biphenyl-2-carboxylic acid BIBR 277 CHEMBL1017 TELMISARTAN
BDBM50099737	Apoptotic peptidase activating factor 1 Caspase-9 Cathepsin B Cathepsin S DNA damage-inducible transcript 3 protein Fas-associated protein-tyrosine phosphatase 1 (FAP1) Focal adhesion kinase 1 G-protein coupled receptor 55 Leukocyte common antigen Lipoamide Dehydrogenase (Lpd) MPI protein MSRA protein Neuropeptide Y receptor type 1 PTK2B protein tyrosine kinase 2 beta (PTK2B) Phospholipase A2 Phospholipase C, gamma 1 Phospholipase C-beta-3 Procathepsin L Protein-tyrosine phosphatase 1B Pyruvate dehydrogenase (PDH) Serine/threonine-protein kinase PLK1 XBP1 cysteine protease ATG4B isoform a mothers against decapentaplegic homolog 3 protein artemis isoform a tyrosyl-DNA phosphodiesterase 2	0	29	0	3	0	0	0	0	2-Amino-phenanthrene-9,10-dione CHEMBL417727 US9073941, 902 cid_254021
BDBM50115644	5-hydroxytryptamine receptor 1A 5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 3A 5-hydroxytryptamine receptor 7 Alpha-1A adrenergic receptor Alpha-2A adrenergic receptor Alpha-2B adrenergic receptor Alpha-2C adrenergic receptor Bile salt export pump Canalicular multispecific organic anion transporter 1 Canalicular multispecific organic anion transporter 2 D(1A) dopamine receptor D(2) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Multidrug resistance-associated protein 4 Muscarinic acetylcholine receptor M2 Norepinephrine Monoamine transporters Norepinephrine transporter Serotonin receptor 2a and 2c (5HT2A and 5HT2C) Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter adrenergic Alpha2	56	14	0	0	0	0	0	0	(+/-)-12-Methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-triaza-tribenzo[a,c,e]cycloheptene 2-methyl-1,2,3,4,9,13b-hexahydro-2,4a,5-triaza-tribenzo[a,c,e]cycloheptene CHEMBL654 MIRTAZAPINE ORG 3770 REMERON
BDBM50140053	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 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 D(2) dopamine receptor D(3) dopamine receptor Histamine H1 receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	39	0	0	0	0	0	0	0	CHEMBL3754496
BDBM50140054	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 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 D(2) dopamine receptor D(3) dopamine receptor Histamine H1 receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	39	0	0	0	0	0	0	0	CHEMBL3752900
BDBM50140055	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 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 D(2) dopamine receptor D(3) dopamine receptor Histamine H1 receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	39	0	0	0	0	0	0	0	CHEMBL3754166
BDBM50140056	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 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 D(2) dopamine receptor D(3) dopamine receptor Histamine H1 receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	39	0	0	0	0	0	0	0	CHEMBL3753318
BDBM50140058	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 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 D(2) dopamine receptor D(3) dopamine receptor Histamine H1 receptor Histamine H3 receptor Kappa-type opioid receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sigma non-opioid intracellular receptor 1 Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter	39	0	0	0	0	0	0	0	CHEMBL3752576
BDBM50187673	5-hydroxytryptamine receptor 2A 5-hydroxytryptamine receptor 2C 5-hydroxytryptamine receptor 7 Adenosine receptor A3 Angiotensin II type 1a (AT-1a)/1b (AT-1b) receptor Cytochrome P450 1A Cytochrome P450 2C19 Cytochrome P450 2C9 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A D(1A) dopamine receptor D(3) dopamine receptor D(4) dopamine receptor Gonadotropin releasing hormone 1 (GnRHR1) Gonadotropin-releasing hormone receptor Histamine H2 Receptor Kappa-type opioid receptor Mu-type opioid receptor Muscarinic acetylcholine receptor M1 Muscarinic acetylcholine receptor M4 Neurokinin 1 receptor Platelet activating factor receptor Sodium-dependent dopamine transporter Sodium-dependent noradrenaline transporter Sodium-dependent serotonin transporter Voltage-gated calcium channel subunit alpha Cav2.2	21	7	0	0	0	0	0	0	5-(3,3,6-trimethyl-indan-5-yloxy)-furan-2-carboxylic Acid [4,6-dimethoxy-2-(3-morpholin-4-yl-propylamino)-pyrimidine-5-yl]-amide CHEMBL210514
BDBM50189603	CaM kinase II Cyclin-dependent kinase 2 Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Glycogen synthase kinase-3 Insulin-like growth factor I receptor MAP kinase p38 MAP kinase-activated protein kinase 2 Mast/stem cell growth factor receptor Kit Platelet-derived growth factor receptor beta Potassium voltage-gated channel subfamily H member 2 Protein kinase C (PKC) Protein kinase C alpha type Protein kinase C delta type Protein kinase C, eta Proto-oncogene tyrosine-protein kinase Src Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase AKT Serine/threonine-protein kinase SRPK1 Tyrosine-protein kinase ITK/TSK Tyrosine-protein kinase JAK3 Tyrosine-protein kinase Lck Tyrosine-protein kinase SYK Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	0	27	0	0	0	0	0	0	CHEMBL377734 N-cyclopropyl-2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5-yl)methylamino)benzamide
BDBM50214744	β-Carbonic anhydrase 2 (CA 2) β-Carbonic anhydrase 3 (CA 3) Acetylcholinesterase Alpha-glucosidase MAL12 Alpha-glucosidase MAL62 Beta amyloid A4 protein Carbonic Anhydrase (mtCA 1) Carbonic Anhydrase III Carbonic Anhydrase VA Carbonic Anhydrase VB Carbonic Anhydrase XIII Carbonic Anhydrase XIV Carbonic anhydrase 1 Carbonic anhydrase 12 Carbonic anhydrase 2 Carbonic anhydrase 4 Carbonic anhydrase 6 (CA-VI) Carbonic anhydrase 7 Carbonic anhydrase 9 Carbonic anhydrase V Carbonic anhydrases; II & IX Dihydroorotate dehydrogenase (fumarate) Hyaluronidase Integrase Tyrosinase Xanthine dehydrogenase	20	14	0	0	0	0	0	0	(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (10) CHEMBL32749 Ferulic acid (M5) ferulic acid
BDBM50218709	Aurora kinase B Axin-1/Glycogen synthase kinase-3 beta Cyclin-dependent kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 1 Inhibitor of nuclear factor kappa-B kinase subunit beta MAP/microtubule affinity-regulating kinase 2 Macrophage colony stimulating factor receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 1 PDGFR-beta/Platelet-derived growth factor receptor alpha Protein kinase C delta type Protein kinase C, gamma Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase Ribosomal protein S6 kinase alpha 1 Ribosomal protein S6 kinase alpha-3 Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase Chk1/2 Serine/threonine-protein kinase PLK1 Serine/threonine-protein kinase Sgk1 Serine/threonine-protein kinase c-TAK1 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 cAMP-dependent protein kinase (PKA)	0	26	0	2	0	0	0	0	2-[3-(3-methoxy-4-nitrophenyl)-11-oxo-10,11-dihydro-5Hdibenzo[b,e][1,4]diazepin-8-yl]-2-methyl-N-(4-morpholin-4-ylphenyl)propanamide CHEMBL389745
BDBM50262685	5'-AMP-activated protein kinase subunit beta-1 ALK1 ALK2 ALK3 ALK4 ALK5 AMP-activated protein kinase (AMPK) Activin receptor type-1 Activin receptor type-1B Activin receptor-like kinase 3 (ALK-3) Bone morphogenetic protein Bone morphogenetic protein 4 Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495 Bone morphogenetic protein receptor type-2 Ephrin type-A receptor 2 Interferon-induced, double-stranded RNA-activated protein kinase MAP kinase-interacting serine/threonine-protein kinase 1 Proto-oncogene tyrosine-protein kinase Src Ribosomal protein S6 kinase alpha 1 Serine/threonine-protein kinase receptor R3 TGF-beta receptor type II TGF-beta receptor type-1 Tyrosine-protein kinase Lck Tyrosine-protein kinase Yes Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	0	36	0	3	0	0	0	0	6-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine CHEMBL478629 Dorsomorphin US9040694, Dorsomorphin
BDBM50267508	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-2A adrenergic receptor Alpha-2C adrenergic receptor Beta-3 adrenergic receptor D(1A) dopamine receptor D(1B) dopamine receptor D(2) dopamine receptor D(4) dopamine receptor Histamine H1 receptor Histamine H2 Receptor Histamine H3 receptor Mu-type opioid receptor Serotonin (5-HT) receptor Sodium-dependent dopamine transporter Sodium-dependent serotonin transporter	26	0	0	0	0	0	0	0	4-(3-(2-Fluoroethoxy)-2-methoxy-benzoyl)-1-(2-p-fluorophenylethyl)-piperidine CHEMBL516088
BDBM50312153	Angiopoietin-1 receptor Axin-1/Glycogen synthase kinase-3 beta Cyclin-dependent-like kinase 5 Ephrin type-A receptor 2 Ephrin type-B receptor 4 Epidermal growth factor receptor Fibroblast growth factor receptor 4 Insulin receptor PKC alpha and beta-2 Platelet-derived growth factor receptor beta Protein kinase C alpha type Protein kinase C theta type Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase Tyrosine-protein kinase ABL1 Tyrosine-protein kinase BTK Tyrosine-protein kinase Blk Tyrosine-protein kinase Fyn Tyrosine-protein kinase Lck Tyrosine-protein kinase Lyn Tyrosine-protein kinase SYK Tyrosine-protein kinase ZAP-70 Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2 Vascular endothelial growth factor receptor 3	0	26	0	0	0	0	0	0	1-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea CHEMBL1081198
BDBM50336316	Aurora kinase A/Targeting protein for Xklp2 Casein kinase II subunit alpha Cytochrome P450 3A Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 3 Focal adhesion kinase 1 Inhibitor of nuclear factor kappa-B kinase subunit beta Insulin receptor Insulin-like growth factor I receptor MAP kinase-activated protein kinase 2 Mitogen-activated protein kinase 10 Platelet-derived growth factor receptor beta Protein kinase C alpha type Proto-oncogene tyrosine-protein kinase Src RAC-alpha serine/threonine-protein kinase RAF proto-oncogene serine/threonine-protein kinase Rho-associated protein kinase 2 Ribosomal protein S6 kinase (P70S6K) Tyrosine-protein kinase ABL1 Tyrosine-protein kinase Fes/Fps Tyrosine-protein kinase Fyn Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 2 [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial	0	28	0	0	0	0	0	0	CHEMBL410659 cis-3-(3-(azetidin-1-ylmethyl)cyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine cis-3-(3-azetidin-1-ylmethylcyclobutyl)-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-ylamine
BDBM50379186	ALK tyrosine kinase receptor Adenosine receptor A2a Angiopoietin-1 receptor Aurora kinase A/Targeting protein for Xklp2 BDNF/NT-3 growth factors receptor Casein kinase I isoform alpha Cytochrome P450 2C19 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Fibroblast growth factor receptor 1 Fibroblast growth factor receptor 3 High affinity nerve growth factor receptor Macrophage colony stimulating factor receptor Muscarinic acetylcholine receptor M4 Nuclear receptor subfamily 2 group C member 2 Platelet-derived growth factor receptor alpha Potassium voltage-gated channel subfamily H member 2 Proto-oncogene tyrosine-protein kinase Src Proto-oncogene tyrosine-protein kinase receptor Ret Serine/threonine-protein kinase CHK2 Serine/threonine-protein kinase MST2 Tyrosine-protein kinase BLK Tyrosine-protein kinase BTK Tyrosine-protein kinase receptor FLT3 Vascular endothelial growth factor receptor 1 Vascular endothelial growth factor receptor 2	2	25	0	0	0	0	0	0	CEP-11981 CHEMBL2010872
BDBM50401285	Angiopoietin-1 receptor Aurora kinase B Axin-1/Glycogen synthase kinase-3 beta Casein kinase I isoform delta Cyclin-dependent kinase 1 Cyclin-dependent kinase 2 Dual specificity mitogen-activated protein kinase kinase 1 Epidermal growth factor receptor Fibroblast growth factor receptor 3 Hepatocyte growth factor receptor Inhibitor of nuclear factor kappa-B kinase subunit beta Insulin receptor Mast/stem cell growth factor receptor Kit Mitogen-activated protein kinase 14 Mitogen-activated protein kinase 3 Mitogen-activated protein kinase 8 Mitogen-activated protein kinase kinase kinase 1 Platelet-derived growth factor receptor alpha Platelet-derived growth factor receptor beta Protein kinase C theta type Proto-oncogene tyrosine-protein kinase Src RAF proto-oncogene serine/threonine-protein kinase Receptor tyrosine-protein kinase erbB-2 Serine/threonine-protein kinase B-raf Serine/threonine-protein kinase Chk1/2 Vascular endothelial growth factor receptor 2	0	27	0	0	0	0	0	0	CHEMBL2204532
BDBM50455480	ATPase family AAA domain-containing protein 2 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 1 Bromodomain-containing protein 2 Bromodomain-containing protein 3 Bromodomain-containing protein 4 Bromodomain-containing protein 7 Bromodomain-containing protein 8 Bromodomain-containing protein 9 CREB-binding protein Cat eye syndrome critical region protein 2 E3 ubiquitin-protein ligase TRIM33 HIF1A/p300/CREB-binding protein Histone acetyltransferase KAT2A/KAT2B Nucleosome-remodeling factor subunit BPTF Peregrin Probable global transcription activator SNF2L2 Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1 Transcription initiation factor TFIID subunit 1-like Transcription intermediary factor 1-alpha	0	9	33	0	0	0	0	0	CHEMBL4218735
BDBM50460772	Aurora kinase A/Targeting protein for Xklp2 Aurora kinase B Axin-1/Glycogen synthase kinase-3 beta CaM kinase IV Casein kinase I isoform delta Cyclin-dependent kinase 2 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 3A 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 PKC alpha and beta-2 RAC-alpha serine/threonine-protein kinase Rho-associated protein kinase 2 Ribosomal protein S6 kinase Serine/threonine-protein kinase Chk1/2 Serine/threonine-protein kinase MST2 Serine/threonine-protein kinase PLK3 Tyrosine-protein kinase JAK2 Tyrosine-protein kinase Lck Tyrosine-protein kinase receptor FLT3	0	26	2	3	0	0	0	0	CHEMBL4225923
BDBM50539801	1,3-beta-glucan synthase component GLS2 ATPase family AAA domain-containing protein 2 ATPase family AAA domain-containing protein 2B 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 and extra-terminal motif (BET) Bromodomain-containing protein 1 Bromodomain-containing protein 4 Bromodomain-containing protein 7 Bromodomain-containing protein 8 Bromodomain-containing protein 9 CREB-binding protein Cat eye syndrome critical region protein 2 E3 ubiquitin-protein ligase TRIM33 HIF1A/p300/CREB-binding protein Histone acetyltransferase KAT2A/KAT2B Nucleosome-remodeling factor subunit BPTF Peregrin Probable global transcription activator SNF2L2 Protein polybromo-1 Transcription activator BRG1 Transcription initiation factor TFIID subunit 1 Transcription initiation factor TFIID subunit 1-like Transcription intermediary factor 1-alpha	0	3	40	0	0	0	0	0	CHEMBL4648912
BDBM8125	Calcium channel (Type L) HIV WT-A pol protein (wild-type clade A) HIV WT-B pol protein (wild-type clade B) HIV WT-C pol protein (wild-type clade C) HIV-1 Protease HIV-1 Protease Mutant (D30N) HIV-1 Protease Mutant (I50V) HIV-1 Protease Mutant (I84V) HIV-1 Protease Mutant (L90M) HIV-1 Protease Mutant (V82A) HIV-1 isolate WT-control pol protein (CNDO control strain) HIV-1 protease HIV-1 protease (Wt) HIV-1 protease M1 HIV-1 protease M2 HIV-1 protease M3 Human immunodeficiency virus type 1 protease MDR1 MDRC4 Multidrug resistance protein 1/Multidrug resistance associated protein 1 P-glycoprotein 1 Potassium voltage-gated channel subfamily H member 2 Protease Sodium channel protein type 5 subunit alpha Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1 Voltage-gated potassium channel subunit Kv4.3	55	24	1	9	0	0	0	0	(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-4-[(4-aminobenzene)(2-methylpropyl)sulfonamido]-3-hydroxy-1-phenylbutan-2-yl]carbamate CHEMBL1323 Darunavir Darunavir (DRV) TMC-114 UIC-94017 US10806794, Compound Darunavir
BDBM82472	5-HT1 like 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 6 5-hydroxytryptamine receptor 7 ADRB2 Adrenaline alpha1 Beta-1 adrenergic receptor D(1A) dopamine receptor D(2) dopamine receptor D(4) dopamine receptor HRH2 HTR1D HTR2A HTR4 Histamine H1 receptor Muscarinic acetylcholine receptor M3 Serotonin (5-HT) receptor Serotonin receptor 2a and 2b (5HT2A and 5HT2B) Serotonin receptor 2a and 2c (5HT2A and 5HT2C) adrenergic Alpha1 adrenergic Alpha2	84	0	0	0	0	0	0	0	BW-723C86 CAS_5311036 NSC_5311036
BDBM8610	Bile salt export pump Bile salt export pump (BSEP) Cytochrome P450 Cytochrome P450 11B1, mitochondrial Cytochrome P450 11B2 (CYP11B2) Cytochrome P450 125 (CYP125) Cytochrome P450 142 (CYP142) Cytochrome P450 144 (CYP144) Cytochrome P450 17A1 Cytochrome P450 19A1 Cytochrome P450 1A Cytochrome P450 24A1 Cytochrome P450 27B1 Cytochrome P450 2C19 Cytochrome P450 2C8 Cytochrome P450 2C9 Cytochrome P450 2D6 Cytochrome P450 2D6 (2D6) Cytochrome P450 3A Cytochrome P450 3A5 (CYP3A5) Heme oxygenase 1 Heme oxygenase 2 P-glycoprotein 1 Phylloquinone omega-hydroxylase CYP4F2 Sterol 14-alpha demethylase (CYP51) Uridine-5'-diphosphoglucuronosyltransferase 1A1	8	74	7	0	0