Compound Name (alphabetical) | Binding Targets | Enz. Inhib. Data | ITC Data | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM22416
 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-2 adrenergic receptor
- Beta-adrenergic receptor kinase 1
- Cytochrome P450 2D6
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
- D(1A) dopamine receptor
- D(2) dopamine receptor
- Dopamine transporter
- Envelope glycoprotein
- G protein-coupled receptor kinase 5
- HTR1D
- HTR2C
- Histamine H1 receptor
- Multidrug resistance protein 1/Multidrug resistance associated protein 1
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Muscarinic acetylcholine receptor M5
- Myeloperoxidase
- Neurokinin 1 receptor
- Norepinephrine Monoamine transporters
- Norepinephrine transporter
- P2X purinoceptor 4
- Potassium voltage-gated channel subfamily H member 2
- Quinolone resistance protein norA
- Rhodopsin kinase
- SLC6A3
- Serotonin (5-HT) receptor
- Serotonin 1B/1D receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Voltage-gated L-type calcium channel
- adrenergic Alpha2
| 99 | 31 | 6 | 0 | 0 | 0 | 0 | 0 | - (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
- (3S,4R)-3-[(2H-1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
- CHEMBL490
- PAROXETINE
- US09969700, Paroxetine
- US9944618, Compound ID No. 182
- [3H]Paroxetine
|
BDBM22984
 | - 72 kDa type IV collagenase
- Anti-estrogen binding site (AEBS)
- Aurora kinase A/Targeting protein for Xklp2
- Bacteriophage T4 DNA Ligase
- Bile salt export pump
- Bile salt export pump (BSEP)
- CAM-RNase A
- CDGSH iron-sulfur domain-containing protein 1
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Carnitine palmitoyltransferase 1A
- Carnitine palmitoyltransferase 2
- DNA (cytosine-5)-methyltransferase 3A
- DNA Ligase (MtuLigA)
- DNA primase (Ba DnaG)
- DNA primase (Mtb DnaG)
- DNA topoisomerase
- DNA topoisomerase 1
- DNA topoisomerase I
- DNA topoisomerase I (Topo I)
- DNA topoisomerase II
- Deoxyribonuclease-1
- Deoxyribonuclease-2-alpha
- Human immunodeficiency virus type 1 integrase
- Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha
- Matrix metalloproteinase 11
- Multidrug resistance protein 1/Multidrug resistance associated protein 1
- Multidrug resistance-associated protein 4
- Purinergic receptor P2Y12
- Receptor tyrosine-protein kinase erbB-2
- Reverse transcriptase
- Solute carrier organic anion transporter family member 1B1 (OATP1B1)
- Solute carrier organic anion transporter family member 1B3 (OATP1B3)
- Solute carrier organic anion transporter family member 2B1
- Telomerase reverse transcriptase
- Topoisomerase I/II
- 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
| 6 | 61 | 1 | 1 | 0 | 0 | 0 | 0 | - (8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy}-6,8,11-trihydroxy-8-(2-hydroxyacetyl)-1-methoxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione
- Adriamycin
- Adriblastina
- CHEMBL53463
- Doxil
- Doxorubicin
|
BDBM50000766
 | - 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
- Acetylcholinesterase
- Aldo-keto reductase family 1 member C1
- Aldo-keto reductase family 1 member C2
- Bile salt export pump
- Canalicular multispecific organic anion transporter 2
- Cholecystokinin
- Cholecystokinin A receptor
- Cholecystokinin receptor
- Cholinesterase
- D(1A) dopamine receptor
- D(2) dopamine receptor
- GABA A Alpha2Beta1Gamma2
- GABA A receptor alpha-2/beta-2/gamma-2
- GABA A receptor alpha-3/beta-2/gamma-2
- GABA A receptor alpha-5/beta-3/gamma-2
- GABA A receptor alpha-6/beta-2/gamma-2
- GABA receptor alpha-1/beta-2/gamma-2 subunit
- GABA receptor alpha-1/beta-3/gamma-2 subunit
- GABA receptor alpha-2/beta-2/gamma-2 subunit
- GABA receptor alpha-2/beta-3/gamma-2 subunit
- GABA receptor alpha-3/beta-2/gamma-2 subunit
- GABA receptor alpha-3/beta-3/gamma-2 subunit
- GABA receptor alpha-5/beta-3/gamma-2 subunit
- GABA receptor alpha-6/beta-2/gamma-2 subunit
- GABA receptor alpha-6/beta-3/gamma-2 subunit
- GABA receptor gamma-1 subunit
- GABA(A) receptor subunit alpha-2
- GABA-A receptor; alpha-1/beta-2/gamma-2
- Gamma-aminobutyric acid receptor subunit alpha-1
- Gamma-aminobutyric acid receptor subunit alpha-2/beta-2
- Gamma-aminobutyric acid receptor subunit alpha-3
- Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))
- Gamma-aminobutyric acid receptor subunit alpha-5/beta-3
- Gamma-aminobutyric acid type B receptor subunit 1
- Liver fatty acid binding protein (rat L-FABP)
- Multidrug resistance-associated protein 4
- Peripheral-Type Benzodiazepine Receptor
- Serum albumin
- Sodium channel protein type I I alpha subunit
- Translocator protein
- Voltage-gated L-type calcium channel
| 98 | 18 | 5 | 4 | 0 | 0 | 0 | 0 | - CHEMBL12
- DIAZEPAM
- US9271961, Diazepam
|
BDBM50004656
 | - Acetylcholinesterase
- Bile salt export pump
- Cholinergic, Nicotinic Alpha6Beta3Beta4Alpha5
- Cholinergic, muscarinic
- M3 muscarinic receptor (M3'(3C)-Xa A177C)
- M3 muscarinic receptor (M3'(3C)-Xa F550C)
- M3 muscarinic receptor (M3'(3C)-Xa F554C)
- M3 muscarinic receptor (M3'(3C)-Xa K178C)
- M3 muscarinic receptor (M3'(3C)-Xa K548C)
- M3 muscarinic receptor (M3'(3C)-Xa K555C)
- M3 muscarinic receptor (M3'(3C)-Xa R176C)
- M3 muscarinic receptor (M3'(3C)-Xa R179C)
- M3 muscarinic receptor (M3'(3C)-Xa R551C)
- M3 muscarinic receptor (M3'(3C)-Xa T180C)
- M3 muscarinic receptor (M3'(3C)-Xa T549C)
- M3 muscarinic receptor (M3'(3C)-Xa T552C)
- M3 muscarinic receptor (M3'(3C)-Xa T553C)
- M3 muscarinic receptor (M3'(3C)-Xa T556C)
- M3 muscarinic receptor (M3'(3C)-Xa)
- Motilin
- Muscarinic acetylcholine receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M1 and M3
- 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
- Neuronal acetylcholine receptor
- 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/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
- Nicotinic Alpha-Bungarotoxin
- n-AChR
| 163 | 40 | 3 | 71 | 0 | 0 | 0 | 0 | - (2-Carbamoyloxy-ethyl)-trimethyl-ammonium
- (2-Carbamoyloxyethyl)trimethylammonium chloride
- (2-Hydroxyethyl)trimethyl ammonium chloride carbamate
- (2-Hydroxyethyl)trimethylammonium chloride carbamate
- (carbachol)(2-Carbamoyloxy-ethyl)-trimethyl-ammonium
- 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminium chloride
- 2-((Aminocarbonyl)oxy)-N,N,N-trimethylethanaminum chloride
- 2-(carbamoyloxy)-N,N,N-trimethylethanaminium
- 2-(carbamoyloxy)-N,N,N-trimethylethanaminium chloride
- CARBACHOL
- CARBASTAT
- CHEMBL14
- Carbachol chloride
- Carbamylcholine
- Choline carbamate chloride
- Choline chloride, carbamate
- Choline chlorine carbamate
- Karbachol
- Karbamoylcholin chlorid
- MIOSTAT
|
BDBM50180054
 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 5A
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- Adenosine A2 receptor
- Adenosine receptor A2a
- Adenosine receptor A3
- Adrenergic receptor alpha-1
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- Beta-3 adrenergic receptor
- Cannabinoid receptor 1
- Cannabinoid receptor 2
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- Delta-type opioid receptor
- Histamine H1 receptor
- Histamine H2 Receptor
- Histamine H3 receptor
- Histamine H4 receptor
- Kappa-type opioid receptor
- Low affinity neurotrophin receptor p75NTR
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor
- P-glycoprotein 1
- Potassium voltage-gated channel subfamily H member 2
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Synaptic vesicular amine transporter
- Vasopressin V1 receptor
- Vasopressin V2 receptor
- Vesicular amine transporter 1
| 42 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | - CHEMBL199824
- [O-methyl-11C]2-{4-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]butyl}-4-methyl-2H-[1,2,4]triazine-3,5-dione
|
BDBM50357312
 | - 1,3-beta-glucan synthase component GLS2
- CDK2/CycE
- Calmodulin/Proto-oncogene tyrosine-protein kinase Src
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 3A
- Cytoplasmic tyrosine-protein kinase BMX
- Ephrin type-A receptor 2
- Epidermal growth factor receptor
- Epidermal growth factor receptor(L858R, T790M)
- Fibroblast growth factor receptor 2
- Macrophage colony stimulating factor receptor
- Platelet-derived growth factor receptor beta
- 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
- Redox-regulatory protein FAM213A
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase BTK (C481S)
- Tyrosine-protein kinase Blk
- Tyrosine-protein kinase CSK
- Tyrosine-protein kinase FER
- Tyrosine-protein kinase FRK
- Tyrosine-protein kinase Fgr
- Tyrosine-protein kinase Fyn
- Tyrosine-protein kinase HCK
- Tyrosine-protein kinase ITK/TSK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase TEC
- Tyrosine-protein kinase TXK
- Tyrosine-protein kinase Yes
- Tyrosine-protein kinase receptor FLT3
| 3 | 219 | 8 | 0 | 0 | 0 | 0 | 0 | - IBRUTINIB
- PCI-32765
- US10124003, Ref. Ex. Compound 1
- US10711006, Compound Ibrutinib
- US10793575, Example ibrutinib
- US10835536, Ref. Ex. Comp 1
- US10919899, Ibrutinib
- US9108973, Ref 1
- US9181263, 1
- US9278100, 1
|
BDBM50538571
 | - 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
| 0 | 42 | 0 | 1 | 0 | 0 | 0 | 0 | |