Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM1944
 | 0 | 40 | 0 | 3 | 0 | 0 | 0 | 0 | - Alpha-chymotrypsin
- Beta-lactamase AmpC
- Cruzipain
- HIV-1 Reverse Transcriptase
- HIV-1 Reverse Transcriptase Mutant (K103N)
- HIV-1 Reverse Transcriptase Mutant (P236L)
- HIV-1 Reverse Transcriptase Mutant (Y181C)
- Human immunodeficiency virus type 1 reverse transcriptase
- Integrase
- Malate dehydrogenase cytoplasmic
- Reverse Transcriptase
- Reverse transcriptase
| - BHAP deriv.
- CHEMBL593
- DELAVIRDINE MESYLATE
- Delavirdine
- N-[2-({4-[3-(propan-2-ylamino)pyridin-2-yl]piperazin-1-yl}carbonyl)-1H-indol-5-yl]methanesulfonamide
- Rescriptor
- U-90152S
|
BDBM20608
 | 9 | 29 | 0 | 5 | 0 | 0 | 0 | 0 | - Androgen receptor
- Cytochrome P450 19A1
- Estradiol receptor beta (ERβ)
- Estrogen receptor
- Estrogen-Related Receptor, gamma
- Estrogen-related receptor gamma
- Phospholipase D (PLD)
- Phospholipase D (PldA)
- Phospholipase D2 (PLD2)
- Progesterone receptor
- Steroid hormone receptor ERR2
- ubiquitin-conjugating enzyme E2 N
| - 4-Hydroxytamoxifen
- 4-Hydroxytamoxifen (9)
- 4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-2-phenylbut-1-en-1-yl]phenol
- AFIMOXIFENE
- CHEMBL489
- [3H]4-OHT
- cid_449459
|
BDBM21641
 | 9 | 34 | 0 | 0 | 0 | 0 | 0 | 0 | - Angiotensin II receptor
- Angiotensin-Converting Enzyme
- Angiotensin-converting enzyme
- Endothelin-converting enzyme 1 (ECE1)
- Endothelin-converting enzyme 2 (ECE-2)
- Neprilysin
- Neutral Endopeptidase (NEP)
- Thermolysin
| - 2-(2-benzyl-3-sulfanylpropanamido)acetic acid
- CHEMBL10247
- Thiorphan
|
BDBM26197
 | 25 | 17 | 1 | 0 | 0 | 0 | 0 | 0 | - 5-lipoxygenase/FLAP
- Bile salt export pump
- Bile salt export pump (BSEP)
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Carbonic Anhydrase III
- Carbonic Anhydrase VA
- Carbonic Anhydrase VB
- Carbonic Anhydrase XIII
- Carbonic Anhydrase XIV
- 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
- Cyclooxygenase
- Cyclooxygenase-1 (COX-1)
- Cytochrome P450 1A
- Cytochrome P450 1A1
- Cytochrome P450 2J2
- Dipeptidyl peptidase 3
- Fatty-acid amide hydrolase 1 (aa 30-579)
- Multidrug resistance-associated protein 4
- Myoglobin
- Solute carrier family 22 member 6
| - CHEMBL112
- N-(4-hydroxyphenyl)acetamide
- Norco
- Paracetamol
- US9333197, Acetaminophen
- acetaminophen
- phenol derivative, 11
|
BDBM27497
 | 0 | 40 | 2 | 1 | 0 | 0 | 0 | 0 | - Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
- Poly [ADP-ribose] polymerase 1
- Poly [ADP-ribose] polymerase 10
- 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
- Transient receptor potential cation channel subfamily M member 2
- poly-ADP-ribose polymerase 2 (PARP2)
| - 2-(dimethylamino)-N-(6-oxo-5,6-dihydrophenanthridin-2-yl)acetamide
- 2-Dimethylamino-N-(6-oxo-5,6-dihydro-phenanthridin-2-yl)-acetamide
- CHEMBL372303
- N-(6-oxo-5,6-dihydro- phenanthridin-2-yl)-N,N-dimethylacetamide
- N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
- PJ34
|
BDBM50035057
 | 42 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | - 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
| - (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
|
BDBM50084959
 | 39 | 4 | 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 4 (5-HT4)
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- ADRA2B
- Alpha adrenergic receptor 1A and 1B
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Histamine H1 receptor
- Histamine H2 receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Serotonin (5-HT) receptor
- Serotonin 1B/1D receptor
- Serotonin 4 (5-HT4) receptor
- Sodium-dependent serotonin transporter
| - 11'-Methyl-5-[[2'-methyl-4'-(5-methyl-1,2,4-oxadiazol-3-yl)biphenyl-4-yl]carbonyl]-2,3,6,7-tetrahydrospiro[furo-[2,3-f]indole-3,4'-piperidine](SB-224289)
- 4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]phenyl-1'-methylspiro[3,5,6,7-tetrahydro-2H-furo[2,3-f]indole-3,4'-(hexahydropyridine)]-5-ylmethanone
- CHEMBL281350
- SB-224289
- [2'-Methyl-4'-(5-methyl-[1,2,4]oxadiazol-3-yl)-biphenyl-4-yl]-[3-(1-methyl-piperidine)-2,3,6,7-tetrahydro-1-oxa-5-aza-s-indacen-5-yl]-methanone
|
BDBM50085045
 | 8 | 18 | 0 | 17 | 0 | 0 | 0 | 0 | - Amine oxidase (flavin-containing) A
- Amine oxidase [flavin-containing] B
- Arachidonate 15-lipoxygenase
- Bile salt export pump
- Bile salt export pump (BSEP)
- Canalicular multispecific organic anion transporter 2
- Indoleamine 2,3-dioxygenase 1
- Indoleamine 2,3-dioxygenase 2
- Monoamine Oxidase Type B (MAO-B)
- Monoamine oxidase
- Multidrug resistance-associated protein 4
- Peroxisome proliferator-activated receptor
- Peroxisome proliferator-activated receptor gamma
- Protein-tyrosine phosphatase 1B
- Uridine-5'-diphosphoglucuronosyltransferase 1A6
| - 5-((4-((6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-chromen-2-yl)methoxy)phenyl)methyl)thiazolidine-2,4-dione
- 5-(4-((6-hydroxy-2,5,7,8-tetramethylchroman-2-yl)methoxy)benzyl)thiazolidine-2,4-dione
- 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzy l]-thiazolidine-2,4-dione (troglitazone)
- 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione
- 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dione(troglitazone)
- 5-[4-(6-Hydroxy-2,5,7,8-tetramethyl-chroman-2-ylmethoxy)-benzyl]-thiazolidine-2,4-dioneTroglitazone
- CHEMBL408
- CI-991
- CS-045
- GR92132X
- PRELAY
- REZULIN
- TROGLITAZONE
|
BDBM50085536
 | 16 | 24 | 3 | 0 | 0 | 0 | 0 | 0 | - 72 kDa type IV collagenase
- Alpha-(1,3)-fucosyltransferase IV
- Alpha-(1,3)-fucosyltransferase VII
- Alpha-(2,3)-(N)-sialyltransferase
- Alpha-glucosidase MAL62
- Alpha-synuclein
- Angiotensin-converting enzyme
- Anthrax toxin receptor 2
- Autoinducer 2-binding periplasmic protein luxP
- 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 2
- Carbonic anhydrase 4
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Dipeptidyl peptidase 4
- Disintegrin and metalloproteinase domain-containing protein 17
- Human immunodeficiency virus type 1 reverse transcriptase
- Leukocyte adhesion molecule-1
- Matrix metalloproteinase-7 (MMP7)
- Nitric Oxide Synthase, inducible
- P-selectin/P-selectin glycoprotein ligand 1
- Pancreatic lipase
- Plasminogen activator inhibitor-1
- Polypeptide N-acetylgalactosaminyltransferase 2
- Procollagen-proline,2-oxoglutarate-4-dioxygenase
- Proteasome subunit beta type-1/beta type-5
- Selectin E
- Squalene monooxygenase
- Toll-like receptor 2
| - 3,4,5-Trihydroxybenzoate, X
- 3,4,5-trihydroxybenzoic acid
- CHEMBL288114
- Gallic Acid, F
- gallic acid
|
BDBM50148852
 | 32 | 1 | 0 | 10 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-2 adrenergic receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- Histamine H2 receptor
- Muscarinic acetylcholine receptor M5
- Sodium-dependent serotonin transporter
| |
BDBM50254790
 | 37 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- D(2) dopamine receptor
- Histamine H1 receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Muscarinic acetylcholine receptor M5
- Norepinephrine transporter
- Potassium voltage-gated channel subfamily C member 1
- Potassium voltage-gated channel subfamily H member 2
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Twik-RElated Potassium (K+) channel 1 (TREK1)
| - (S)-Norfluoxetine
- CHEMBL465123
- NORFLUOXETINE
|
BDBM50327861
 | 43 | 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 4 (5-HT4)
- 5-hydroxytryptamine receptor 5A
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- Adrenergic alpha1B
- Adrenergic receptor beta
- 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
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Delta-type opioid receptor
- Dopamine receptor
- HRH3
- HTR4
- Histamine H1 receptor
- Histamine H2 receptor
- Histamine H4 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
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
| - (1-Butylpiperidin-4-yl)methyl 4-Amino-3-methoxybenzoate
- CHEMBL1258452
|
BDBM50338982
 | 4 | 34 | 1 | 4 | 0 | 0 | 0 | 0 | - ATP-binding cassette sub-family G member 2
- Adrenergic Alpha
- Bile salt export pump (BSEP)
- Chloroquine resistance transporter
- Cytochrome P450 3A
- Multidrug resistance protein 1/Multidrug resistance associated protein 1
- Multidrug resistance-associated protein 2 (MRP2)
- P-glycoprotein 1
- Serum albumin
| - (R)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
- (S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile
- (S)-2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile; hydrochloride
- (S)-5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
- (Verapamil) 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile
- 2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-isopropyl-amino}-2-methyl-pentanenitrile(Verapamil)
- 2-(3,4-dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile
- 4-[3,4-dimethoxyphenethyl(methyl)amino]-1-(3,4-dimethoxyphenyl)-1-isopropylbutyl cyanide
- 5-((3,4-dimethoxyphenethyl)(methyl)amino)-2-(3,4-dimethoxyphenyl)-2-isopropylpentanenitrile
- 5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile
- 5-{[2-(3,4-Dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-2-(4-methoxy-phenyl)-pentanenitrile
- CP-16533-1
- Calan
- Calan SR
- Covera-HS
- D-365
- Iproveratril
- Isoptin
- Isoptin SR
- Tarka
- VERAPAMIL
- Verapamil;2-(3,4-Dimethoxy-phenyl)-5-{[2-(3,4-dimethoxy-phenyl)-ethyl]-methyl-amino}-2-isopropyl-pentanenitrile
- Verapramil
- Verelan
- verapamil-R
|
BDBM50366567
 | 9 | 31 | 3 | 0 | 0 | 0 | 0 | 0 | - Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cytochrome P450 2D6 (2D6)
- Krueppel-like factor 10
- Multidrug resistance-associated protein 4
- Norepinephrine Monoamine transporters
- Potassium voltage-gated channel subfamily H member 2
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Transporter
| |
BDBM50453949
 | 0 | 2 | 40 | 1 | 0 | 0 | 0 | 0 | - 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 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
- CREB-binding protein/Histone acetyltransferase p300
- 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
| |
BDBM50538571
 | 0 | 42 | 0 | 1 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- AMSH-like protease
- Ataxin-3
- Ataxin-3-like protein
- Deubiquitinase OTUD6B
- Deubiquitinating protein VCPIP1
- Josephin-1
- Josephin-2
- OTU domain-containing protein 1
- OTU domain-containing protein 3
- OTU domain-containing protein 6A
- OTU domain-containing protein 7B
- Probable ubiquitin carboxyl-terminal hydrolase FAF-X
- Ubiquitin C-terminal Hydrolase L3 (UCH-L3)
- Ubiquitin carboxyl-terminal hydrolase 1
- Ubiquitin carboxyl-terminal hydrolase 11
- Ubiquitin carboxyl-terminal hydrolase 14
- Ubiquitin carboxyl-terminal hydrolase 15
- Ubiquitin carboxyl-terminal hydrolase 16
- Ubiquitin carboxyl-terminal hydrolase 19
- Ubiquitin carboxyl-terminal hydrolase 2
- Ubiquitin carboxyl-terminal hydrolase 20
- Ubiquitin carboxyl-terminal hydrolase 21
- Ubiquitin carboxyl-terminal hydrolase 25
- Ubiquitin carboxyl-terminal hydrolase 27
- Ubiquitin carboxyl-terminal hydrolase 28
- Ubiquitin carboxyl-terminal hydrolase 30
- Ubiquitin carboxyl-terminal hydrolase 35
- Ubiquitin carboxyl-terminal hydrolase 36
- Ubiquitin carboxyl-terminal hydrolase 4
- Ubiquitin carboxyl-terminal hydrolase 45
- Ubiquitin carboxyl-terminal hydrolase 47
- Ubiquitin carboxyl-terminal hydrolase 5
- Ubiquitin carboxyl-terminal hydrolase 6
- Ubiquitin carboxyl-terminal hydrolase 7
- Ubiquitin carboxyl-terminal hydrolase 8
- Ubiquitin carboxyl-terminal hydrolase BAP1 (BRCA1-associated protein 1) (Cerebral protein 6).
- Ubiquitin carboxyl-terminal hydrolase CYLD
- Ubiquitin carboxyl-terminal hydrolase isozyme L1
- Ubiquitin carboxyl-terminal hydrolase isozyme L5
- Ubiquitin thioesterase OTU1
- Ubiquitin thioesterase OTUB2
| |
BDBM50539801
 | 0 | 3 | 40 | 0 | 0 | 0 | 0 | 0 | - 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
| |