Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM50004665
 | 50 | 25 | 2 | 12 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Cholinergic, muscarinic
- MCOLN3 protein
- Muscarinic acetylcholine receptor
- Muscarinic acetylcholine receptor DM1
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M2 and M4
- Muscarinic acetylcholine receptor M2 and M5
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Muscarinic acetylcholine receptor M5
- Serotonin (5-HT) receptor
- transient receptor potential cation channel, subfamily N, member 1
| - (oxotremorine)1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
- 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
- 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one (oxotremorphine)
- 1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one(Oxotremorine)
- 1-[4-(2-oxo-pyrrolidin-1-yl)-but-2-ynyl]-pyrrolidinium
- CHEMBL7634
- Oxotremorine
- Oxotremorine1-(4-Pyrrolidin-1-yl-but-2-ynyl)-pyrrolidin-2-one
- cid_4630
|
BDBM50116766
 | 62 | 9 | 1 | 17 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 3A
- 5-hydroxytryptamine receptor 5A
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- Adrenergic receptor
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-2 adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cystic fibrosis transmembrane conductance regulator
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- DRD1
- Delta-type opioid receptor
- Dopamine receptor
- Histamine H2 receptor
- Histamine receptor (H3 and H4)
- Multidrug resistance-associated protein 4
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M1 and M3
- Muscarinic acetylcholine receptor M2 and M5
- Serotonin (5-HT) receptor
- Sigma non-opioid intracellular receptor 1
| - (-)-Pramipexole
- (6S)-N(6)-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
- 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N(sup 6)-propyl-, (S)-
- CHEMBL301265
- PRAMIPEXOLE
- cid_119570
|
BDBM50240772
 | 8 | 75 | 4 | 2 | 0 | 0 | 0 | 0 | - Alpha-1A adrenergic receptor
- Amine oxidase (flavin-containing) A
- Amine oxidase [flavin-containing] B
- Bile salt export pump
- Cytochrome P450 2A13
- Cytochrome P450 2A6
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- D(3) dopamine receptor
- G-protein subunit alpha-16
- Histone Lysine Demethylase
- Homo sapiens lysine demethylase 2A (KDM2A)
- LSD1/CoREST complex
- Lysine-specific demethylase 3A
- Lysine-specific demethylase 4C
- Lysine-specific demethylase 5C
- Lysine-specific demethylase 6B
- Lysine-specific histone demethylase 1A
- Lysine-specific histone demethylase 1A/REST corepressor
- Lysine-specific histone demethylase 1B
- trace amine-associated receptor 1
| - (1R,2S)-(-)-2-phenylcyclopropylamine
- (1R,2S)-2-phenylcyclopropanamine
- (tranylcypromine)2-Phenyl-cyclopropylamine
- 2-Phenyl-cyclopropylamine
- CHEMBL1179
- Parnate
- TRANYLCYPROMINE
- TRANYLCYPROMINE HYDROCHLORIDE
- US10836743, Compound TCP
- US8993808, Tranylcypromine
- US9180183, Tranylcypromine
- cid_2723716
- rel-Tranylcypromine
|
BDBM519
 | 35 | 32 | 2 | 0 | 1 | 1 | 0 | 1 | - ATP-binding cassette sub-family G member 2
- Chloroquine resistance transporter
- Cytochrome P450 3A
- Gag polyprotein
- HIV-1 Protease
- HIV-1 Protease A Subtype
- HIV-1 Protease A Subtype Mutant (V82F/I84V)
- HIV-1 Protease AE
- HIV-1 Protease AE Mutant (V82F)
- HIV-1 Protease AE-P
- HIV-1 Protease AE-P Mutant (F82V)
- HIV-1 Protease B Subtype
- HIV-1 Protease B Subtype Mutant (V82F)
- HIV-1 Protease B Subtype Mutant (V82F/I84V)
- HIV-1 Protease C Subtype
- HIV-1 Protease C Subtype Mutant (V82F/I84V)
- HIV-1 Protease Mutant (L10I/L90M)
- HIV-1 Protease Mutant (M46I/I54V)
- HIV-1 Protease Mutant (V82A/I84V)
- HIV-1 Protease Mutant (V82F/I84V)
- HIV-1 Protease Mutant M1 (L10I, G48V, I54V, L63P, V82A)
- HIV-1 Protease Mutant M2 (D30N, L63P, N88D)
- HIV-1 Protease Mutant M3 (L10I, L63P, A71V, G73S, I84V, L90M)
- HIV-1 Protease Mutant, A-1
- HIV-1 Protease Mutant, ANAM-11
- HIV-1 Protease Mutant, MDR-HM
- HIV-1 Protease Mutant, MDR-QM
- HIV-1 Protease Mutant, NAM-10
- HIV-1 protease
- Human immunodeficiency virus type 1 protease
- P-glycoprotein (P-gp)
- P-glycoprotein 1
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
| - (2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarbamoyl)-decahydroisoquinolin-2-yl]-3-hydroxy-1-phenylbutan-2-yl]-2-(quinolin-2-ylformamido)butanediamide
- CHEMBL114
- Fortovase
- Invirase
- Ro 31-8959
- SQV
- Saquinavir
|
BDBM77970
 | 59 | 26 | 1 | 3 | 0 | 0 | 0 | 0 | - 3C-like proteinase
- 3C-like proteinase (3CL-PRO)
- 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 6
- Adrenergic Alpha
- Adrenergic receptor alpha-2
- Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Bile salt export pump
- Calcium channel
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Envelope glycoprotein
- HTR6
- Histamine H1 receptor
- Histamine H2 receptor
- Monoamine transporter
- Multidrug resistance-associated protein 4
- Norepinephrine Monoamine transporters
- Norepinephrine transporter
- Proteasome subunit alpha type-6
- SLC6A4
- Serotonin (5-HT) receptor
- Serotonin 1 (5-HT1) receptor
- Serotonin 2 (5-HT2) receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sodium channel protein type I I alpha subunit
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- TPA: Essential protein of the mitochondrial intermembrane space
- Trypanothione Reductase (TryR)
- Trypanothione reductase
- adrenergic Alpha2
| - 3-(2-chloranyl-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-propan-1-amine;hydrochloride
- 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethyl-1-propanamine;hydrochloride
- 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride
- 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl-dimethyl-amine;hydrochloride
- CHLORIMIPRAMINE
- CLOMIPRAMINE
- CLOMIPRAMINE HYDROCHLORIDE
- CLOMIPRIMINE
- MLS000028511
- SMR000058295
- cid_68539
- med.21724, Compound Clomipramine
|
BDBM8125
 | 55 | 24 | 1 | 9 | 0 | 0 | 0 | 0 | - 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
| - (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
|
BDBM8610
 | 8 | 74 | 7 | 0 | 0 | 0 | 0 | 0 | - 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
| - 1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]ethan-1-one
- 24F2-1,25(OH)D3
- CHEMBL75
- KTZ
- Ketoconazole
- Ketoconazole (k)
- US9138393, Ketoconozole
- US9144538, Ketoconozole
|
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