Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM16314
| 2 | 40 | 0 | 0 | 0 | 0 | 0 | 0 | - Aldehyde reductase
- Aldo-keto reductase family 1 member C21
- Aldo-keto reductase family member 1B10 (AKR1B10)
- Aldose reductase
- Aldose reductase (ALR2)
- Aldose reductase (AR)
- Bile salt export pump
| - 2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-N-methylmethanethioamido}acetic acid
- Alredase
- CHEMBL436
- N-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]carbonothioyl}-N-methylglycine
- Tolrestat
|
BDBM22167
| 24 | 19 | 0 | 0 | 0 | 0 | 0 | 0 | - Dopamine Transporter (DAT)
- Monoamine transporters; serotonin & dopamine
- Norepinephrine transporter
- SLC6A3
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
| - 1-[2-(diphenylmethoxy)ethyl]-4-(3-phenylpropyl)piperazine
- CHEMBL26320
- CHEMBL434080
- GBR 12935
- GBR-12935
|
BDBM25902
| 25 | 16 | 0 | 2 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- 6-phosphogluconate dehydrogenase (6PGD)
- Adenosine A1 receptor
- Adenosine A2 receptor
- Bile acid transporter
- Bile salt export pump
- Bile salt export pump (BSEP)
- CDGSH iron-sulfur domain-containing protein 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
- Cytochrome P450 2J2
- G-protein coupled receptor 35
- Glucose 6-phosphate dehydrogenase (G6PD)
- Holo-[acyl-carrieir-protein] synthase
- Multidrug and toxin extrusion protein 1
- Prostaglandin transporter (PGT)
- Serum paraoxonase/arylesterase 1
- Solute carrier family 22 member 6
| - 4-chloro-2-[(furan-2-ylmethyl)amino]-5-sulfamoylbenzoic acid
- CHEMBL35
- Frusemide
- Furanthril
- Furosemide
- Furosemide (3)
- Furosemide, 4
- Lasix
- US10172837, Furosemide
|
BDBM26983
| 41 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Alpha carbonic anhydrase
- Astrosclerin-3
- Carbonic Anhydrase VA
- Carbonic Anhydrase XIII
- Carbonic Anhydrase XV
- Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Carbonic anhydrase 4
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Gamma-carbonic anhydrase
| - CHEMBL1644028
- SCN(-1)
- Thiocyanate
- cyanosulfanide
- sodium thiocyanate
- thiocyanate
|
BDBM27216
| 2 | 41 | 0 | 0 | 0 | 0 | 0 | 0 | - 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
- Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
- Glycogen synthase kinase-3 beta
- 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)
| - (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
|
BDBM35938
| 25 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 2C
- Adrenaline alpha1
- Adrenaline alpha2
- Bile salt export pump
- Chloroquine resistance transporter
- HRH3
- Histamine H1 receptor
- Histamine H4 receptor
- Lethal(3)malignant brain tumor-like protein 1 (L3MBTL1)
- Lethal(3)malignant brain tumor-like protein 3 (L3MBTL3)
- Lethal(3)malignant brain tumor-like protein 4
- MBT domain-containing protein 1 (MBTD1)
- Muscarinic acetylcholine receptor M2
- Platelet activating factor receptor
- Potassium voltage-gated channel subfamily H member 2
- Serotonin receptor (2b and 2c)
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sodium channel protein type I I alpha subunit
| - 1-(p-chlorophenyl)-1-(2-pyridyl)-3-N,N-dimethylpropylamine
- 1-(p-chlorophenyl)-1-(2-pyridyl)-3-dimethylaminopropane
- 3-(p-chlorophenyl)-3-(2-pyridyl)-N,N-dimethylpropylamine
- 5-HT,N-ACETYL
- CHEMBL505
- CHLORPHENIRAMINE
- CHLORPHENIRAMINE MALEATE
- Polaramin
- Polaramine
- Polaronil
- [3H]Chlorphenamine
- [3H]Chlorpheniramine
- chlorophenylpyridamine
- chlorphenamine
- clorfeniramina
- d-Chlorpheniramine
- gamma-(4-chlorophenyl)-N,N-dimethyl-2-pyridinepropanamine
- gamma-(4-chlorophenyl)-gamma-(2-pyridyl)propyldimethylamine
|
BDBM50001028
| 37 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | - DRD1
- DRD2
- Delta-type opioid receptor
- HTR3A
- Imidazoline I1
- Ionotropic glutamate receptor NMDA 1/2D
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Nociceptin/mu opioid receptor
- OPRD1
- Opioid receptor
- Sigma non-opioid intracellular receptor 1
- Vesicular acetylcholine transporter
- Zinc finger protein 664
- mu/kappa opioid receptor
| - (+)-PENTAZOCINE
- (-)-pentazocine
- (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
- (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
- 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
- 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol(Pentazocine)
- CHEMBL560
- PENTAZOCINE (+)
- PENTAZOCINE (-)
- Pentazocine
- Pentazocine,(+/-)
- Talacen
- Talwin
- US9656961, Example 00125
- rel-(2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
|
BDBM50008923
| 0 | 36 | 1 | 6 | 0 | 0 | 0 | 0 | - Bacteriophage T4 DNA Ligase
- Bile salt export pump
- CAM-RNase A
- 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
- Heterogeneous nuclear ribonucleoprotein A1
- Human immunodeficiency virus type 1 integrase
- Pancreatic endoplasmic reticulum kinase (PERK)
- Serine/threonine-protein kinase Chk1
- 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
| - (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
|
BDBM50032219
| 5 | 6 | 4 | 28 | 0 | 0 | 0 | 0 | - Nuclear receptor ROR-gamma
- Retinoic acid receptor RXR-alpha
- Retinoic acid receptor RXR-alpha/Retinoic acid receptor beta
- Retinoic acid receptor RXR-alpha/gamma
- Retinoic acid receptor alpha/Retinoid X receptor alpha
- Retinoid X receptor gamma/retinoic acid receptor alpha
- Retinoid receptor
| - (E)-4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid
- 4-(2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-enyl)benzoic acid
- 4-[(1E)-2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRONAPHTHALEN-2-YL)PROP-1-ENYL]BENZOIC ACID
- 4-[(E)-2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
- 4-[(E)-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-1-propenyl]benzoic acid
- 4-[2-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-propenyl]-benzoic acid
- CHEMBL275311
|
BDBM50084959
| 39 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-Hydroxytryptamine receptor 6 (5-HT6)
- 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 4 (5-HT4)
- ADRA2B
- Alpha adrenergic receptor 1A and 1B
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 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
- Serotonin receptor (2b and 2c)
- 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
|
BDBM50148852
| 32 | 1 | 0 | 10 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- 5-Hydroxytryptamine receptor 6 (5-HT6)
- 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Dopamine receptors; D2 & D4
- Histamine H2 receptor
- Muscarinic acetylcholine receptor M1/M5 chimeric protein
- Serotonin receptor (2b and 2c)
- Sodium-dependent serotonin transporter
| |
BDBM50254790
| 37 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- CHRM5
- D(2) dopamine receptor
- Histamine H1 receptor
- Monoamine transporters; serotonin & dopamine
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Norepinephrine transporter
- Potassium voltage-gated channel subfamily C member 1
- Potassium voltage-gated channel subfamily H member 2
- Serotonin (5-HT) receptor
- Serotonin receptor (2b and 2c)
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- 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 6 (5-HT6)
- 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 3A
- 5-hydroxytryptamine receptor 4 (5-HT4)
- 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
- DOPAMINE
- Delta-type opioid receptor
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine D5 receptor
- Dopamine receptor
- HRH3
- HTR4
- Histamine H1 receptor
- Histamine H2 receptor
- Histamine H4 receptor
- Kappa-type opioid receptor
- Monoamine transporters; serotonin & dopamine
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M1/M5 chimeric protein
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Serotonin (5-HT) receptor
- Serotonin receptor (2b and 2c)
- Sigma non-opioid intracellular receptor 1
- 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
|
BDBM81497
| 26 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- HTR1D
- HTR6
- Serotonin (5-HT) receptor
- Serotonin 1B/1D receptor
- Serotonin 1d (5-HT1d) 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 (2b and 2c)
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
| - 4-(4-Methyl-piperazin-1-yl)-7-trifluoromethyl-pyrrolo[1,2-a]quinoxaline
- CAS_109028-10-6
- CGS 12066B
- CHEMBL27403
- NSC_123945
|