Compound Names in Binding Database

Search by Compound Name

Compounds Sorted by Binding Data 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 71 72 73 74 75 76 77 78 79 80 81
82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105
106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124
125 127 128 129 130 132 133 134 135 136 137 138 139 140 141 143 144 145 146
147 148 149 150 151 153 154 155 156 159 160 161 163 164 165 168 170 171 173
174 176 178 179 183 184 186 188 189 190 191 192 193 196 198 199 200 203 204
205 206 207 208 209 210 216 220 224 226 227 229 232 237 238 241 243 248 252
253 259 261 270 274 276 277 285 291 303 304 313 318 323 325 328 333 335 337
339 341 353 360 361 365 389 393 398 401 413 433 442 444 445 446 447 448 451
453 454 455 457 458 460 463 465 467 473 477 478 482 484 499 504 505 506 517
521 525 543 549 551 554 591 606 663 691 708 796 804 821 825 833 842 847 854
855 861 873 879 883 887 913 914 925 926 938 947 1010 1027 1050 1052 1081 1082
1099 1115 1130 1133 1206 1262 1543 1639 1903 2029

Compounds Sorted Alphabetically

Compound Name (alphabetical)

Enz. Inhib. Data

ITC Data

Binding Targets

Alternate Compound Names

BDBM10850

9 Ki 15 IC50 10 Kd

3',5'-cyclic phosphodiesterase
Acetylcholinesterase
Adenosine A1 receptor
Adenosine receptor A1
Adenosine receptor A2a
Adenosine receptor A2b
Bile salt export pump
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
Chitinase 1
Chitinase Mutant (A217G)
Chitinase Mutant (D175A)
Chitinase Mutant (D246A)
Chitinase Mutant (E177A)
Chitinase Mutant (E322A)
Chitinase Mutant (M243A)
Chitinase Mutant (R301K)
Chitinase Mutant (T138A)
Chitinase Mutant (Y245F)
Cholinesterases; ACHE & BCHE
Endochitinase B1
Multidrug resistance-associated protein 4
Phosphodiesterase (TcrPDEC)
Phosphodiesterase 4
Tumor necrosis factor
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
cAMP-specific 3',5'-cyclic phosphodiesterase 4B

1-(5-Oxohexyl)theobromine (pentoxifylline)
3,7-dimethyl-1-(5-oxohexyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione
3,7-dimethyl-1-(5-oxohexyl)-3,7-dihydropurine-2,6-dione
CHEMBL628
Pentoxifylline
Pentoxil
Pentoxyphylline

BDBM11318

7 Ki 26 IC50 1 EC50

20S proteasome
Accessory gene regulator protein A
Aldose reductase (AR)
Casein Kinase II
Casein kinase II alpha/beta
Casein kinase II subunit alpha
Cytochrome P450 1A
EBifunctional epoxide hydrolase 2
Estradiol receptor beta (ERβ)
Estrogen receptor
Genome polyprotein
Human rhinovirus A protease
Leukocyte elastase
Procathepsin L
Proteasome subunit beta type-1/beta type-5
Protein-tyrosine phosphatase 4A3
Purinergic receptor P2Y12
Serine/threonine-protein kinase pim-1
Sialidase 2
Tyrosine-protein kinase Lck
beta-Hydroxyacyl-acyl carrier protein dehydratase (FtFabZ)
beta-Hydroxyacyl-acyl carrier protein dehydratase (YpFabZ)

1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione
1,3,8-trihydroxy-6-methylanthra-9,10-quinone
CHEMBL289277
Emodin
med.21724, Compound 24

BDBM195608

32 IC50 2 EC50

Histone lysine demethylase PHF8
Lysine-specific demethylase 2B
Lysine-specific demethylase 3B
Lysine-specific demethylase 3B (KDM3B)
Lysine-specific demethylase 4C
Lysine-specific demethylase 4C (KDM4C)
Lysine-specific demethylase 5A
Lysine-specific demethylase 5B
Lysine-specific demethylase 5C
Lysine-specific demethylase 6A (KDM6A)
Lysine-specific demethylase 6B
Lysine-specific demethylase 7A/7B

CPI-455

BDBM22199

16 Ki 12 IC50 6 Kd

5-hydroxytryptamine receptor 2A
Alpha-1A adrenergic receptor
D(2) dopamine receptor
Delta-type opioid receptor
Kappa-type opioid receptor
Mu-type opioid receptor
Muscarinic acetylcholine receptor M2
Norepinephrine transporter
Sigma non-opioid intracellular receptor 1
Sodium-dependent dopamine transporter
Sodium-dependent serotonin transporter

1-{2-[bis(4-fluorophenyl)methoxy]ethyl}-4-[(2E)-3-phenylprop-2-en-1-yl]piperazine
CHEMBL112280
CHEMBL286991
GBR 12935 Analogue, 36
GBR-13,069

BDBM22319

6 Ki 21 IC50 3 Kd

0 ΔG°

10 kDa chaperonin
60 kDa chaperonin
Calcium channel
Coagulation factor VII/tissue factor
Cyclooxygenase
Cytochrome P450 19A1
Cytosolic phospholipase A2 gamma
FABP5-ANS
Fatty acid-binding protein 4 (FABP4)
Fatty acid-binding protein 5 (FABP5)
Fatty acid-binding protein 5 (FABP5)(DSm)
Fatty acid-binding protein 5 (FABP5)(NLSm)
Fatty-acid amide hydrolase 1
HSP60/HSP10
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 I332A)
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2 V309D)
Mannoprotein ligand-binding domain 2 (Mp1p-LBD2)
Peroxisome proliferator-activated receptor
Solute carrier organic anion transporter family member 1B1 (OATP1B1)
Solute carrier organic anion transporter family member 1B3 (OATP1B3)
Sterol 14α-demethylase (CYP51)
TBXA2R
Thiosulfate sulfurtransferase
Trypsin
Vanilloid receptor

(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
Arachidonic acid
Arachidonic acid (AA)
CHEMBL15594
[1-14C]Arachidonic acid

BDBM22857

6 Ki 26 IC50 2 EC50

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

1,2-Dione-Based Compound, 14
9,10-dihydrophenanthrene-9,10-dione
CHEMBL51931
Phenanthrene-9,10 dione
cid_6763

BDBM246852

34 IC50

JAK1 (aa 837-1142)
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Tyrosine-protein kinase JAK1
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase JAK2 (aa 828-1132)
Tyrosine-protein kinase Mer
Tyrosine-protein kinase receptor TYRO3
Tyrosine-protein kinase receptor UFO

((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4,5- d]thieno[3,2- b]pyridin-1- yl}tetrahydro-2H- pyran-2- yl)acetonitrile
US10053465, 1
US10065963, Compound 1
US10125150, Example 1
US10370387, Example 20
US10479803, Example 1D
US10519163, Example 1
US10675284, Example 1
US9732097, Example 1
US9777017, Example 20
US9908895, Example 20

BDBM254603

12 Ki 20 IC50 2 EC50

Amine oxidase (flavin-containing) A
Amine oxidase [flavin-containing] B
GST-Lysine Specific Demethylase-1 (LSD1)
LSD1/CoREST complex
Lysine-specific histone demethylase 1A
Lysine-specific histone demethylase 1B

US10214477, Example 5
US9469597, 4
US9670136, 3 (trans)-N1-((1S,2R)-2-phenylcyclopropyl)cyclohexane-1,4-diamine

BDBM25753

13 Ki 9 IC50 12 Kd

5-hydroxytryptamine receptor 1A
Beta-1 adrenergic receptor
Beta-2 adrenergic receptor
Beta-3 adrenergic receptor
Bile salt export pump
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
D(2) dopamine receptor
Dipeptidyl peptidase 3
Liver fatty acid binding protein (rat L-FABP)
Multidrug resistance-associated protein 4
Serotonin 1B/1D receptor

2-{4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl}acetamide
Artrenolol
Atenolol
CHEMBL24
Tenormin
Tenormine

BDBM28799

2 IC50 32 EC50

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

2-{[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)amino}ethyl)phenyl]sulfanyl}-2-methylpropanoic acid
CHEMBL278590
GW 9578
GW-9578
GW9578

BDBM3175

32 IC50 1 Kd

0 ΔG°

Axin-1/Glycogen synthase kinase-3 beta
Beta-chymotrypsin
Glycogen Synthase Kinase-3, beta
Homeodomain-interacting protein kinase 1
Malate dehydrogenase
Mitogen-activated protein kinase kinase kinase 8
Mitogen-activated protein kinase kinase kinase kinase 1
NAD-Dependent Deacetylase Sirtuin-1
NAD-dependent deacetylase HST2
NAD-dependent deacetylase sirtuin 2
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)
Protein Kinase C
Protein kinase C alpha type
Ribosomal protein S6 kinase (P70S6K)
Ribosomal protein S6 kinase alpha 5
Ribosomal protein S6 kinase alpha-3
Serine/threonine-protein kinase PIM
Serine/threonine-protein kinase TBK1
Serine/threonine-protein kinase VRK1
Serine/threonine-protein kinase VRK2
Serine/threonine-protein kinase pim-1
cAMP-Dependent Protein Kinase (PKA)

3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methyl-3-indolyl)-1H-pyrrole-2,5-dione Methanesulfonate
BIM-9
Bisindolylmaleimide 11b
Bisindolylmaleimide IX
CHEMBL6291
ROCHE screening, 57
Ro 31-8220
Ro31-8220
[(3-{3-[4-(1-methyl-1H-indol-3-yl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]-1H-indol-1-yl}propyl)sulfanyl]methanimidamide

BDBM32085

30 IC50 4 EC50

Apoptotic peptidase activating factor 1
Caspase-3
Caspase-9
DNA recombination protein RecA
Dual Specificity Protein Phosphatase 1
Dual specificity phosphatase Cdc25B
Heat shock protein HSP 90-alpha
MKP-3
PPP5C protein
SUMO-1-specific protease
SUMO/sentrin specific peptidase family member 8
Serine/threonine-protein kinase PLK1
Trypanosoma brucei RNA editing ligase 1
Tyrosine-protein kinase ABL1
protein phosphatase 1, catalytic subunit, alpha isoform 3
tyrosyl-DNA phosphodiesterase 2

MLS000085603
N-(2-hydroxy-1,3-diketo-indan-2-yl)benzamide
N-(2-hydroxy-1,3-dioxo-2,3-dihydro-1H-inden-2-yl)benzamide
N-(2-hydroxy-1,3-dioxo-2-indenyl)benzamide
N-(2-hydroxy-1,3-dioxoinden-2-yl)benzamide
N-[2-oxidanyl-1,3-bis(oxidanylidene)inden-2-yl]benzamide
SMR000020538
cid_3237318

BDBM352339

34 IC50

Ataxin-2

4-((3aR,6aS)-5-(5-Cyclopropyl-6-(tetrahydro-2H-pyran-4-yloxy)nicotinoyl)octahydropyrrolo[3,4-c]pyrrole-2-carbonyl)benzenesulfonamide
US10654857, Example 2.3
US9802944, Example 2
US9802944, Example 2.1
US9802944, Example 2.3

BDBM35909

9 Ki 24 IC50 1 EC50

Androgen Receptor
Androgen receptor
Androgen receptor/Baculoviral IAP repeat-containing protein 2
LANA
Progesterone receptor

2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide
2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide (hydroxy flutamide)
2-Hydroxy-2-methyl-N-(4-nitro-3-trifluoromethyl-phenyl)-propionamide(Hydroxyflutamide)
2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
CHEMBL491
Eulexin
HYDROXYFLUTAMIDE
Hydroxyflutamide
OH-flutamide
Sch 16423
US9682960, OH-FLU
cid_91649
hydroxy-flutamide

BDBM373711

13 IC50 21 Kd

Cytochrome P450 1A
Cytochrome P450 2B6
Cytochrome P450 2C19
Cytochrome P450 2C8
Cytochrome P450 2C9
Cytochrome P450 2D6
Cytochrome P450 3A
EFGR (L747-E749del, A750P)
EGF-R Tyrosine Kinase Mutant (G719C)
EGFR (G719S)
EGFR (L861Q)
EGFR E746-A750del
EGFR L747-S752del, P753S
EGFR L747-T750del
EGFR S752-I759del
Epidermal growth factor receptor
Epidermal growth factor receptor(L858R)
Epidermal growth factor receptor(L858R, T790M)
Receptor tyrosine-protein kinase erbB-2

US10246444, Example 40

BDBM385079

34 EC50

Axin-1/Glycogen synthase kinase-3 beta
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
Proto-oncogene Wnt-1

US10287267, Compound 1086
US10287267, Compound 1087
US10287267, Compound 77
US10287267, Compound 972
US10508099, Compound 972
US10556885, Compound 1087
US10604514, Compound 6

BDBM50001031

34 Ki

D(2) dopamine receptor
G_PROTEIN_RECEP_F1_2 domain-containing protein
Glutamate receptor ionotropic, NMDA 1
HTR3A
Kappa-type opioid receptor
Mu-type opioid receptor
Sigma non-opioid intracellular receptor 1

3-Allyl-6,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
CHEMBL330376
SKF 10,047 (+)
SKF 10,047 (-)
SKF 10047

BDBM50001707

24 Ki 7 IC50 3 EC50

Delta-type opioid receptor
Kappa-type opioid receptor
Mu-type opioid receptor
Opioid receptor
Opioid receptors; mu & delta
Opioid receptors; mu/kappa/delta
Solute carrier family 22 member 1

10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(oxymorphone)
10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one(xymorphone)
10,17-dihydroxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7,9,11(18)-trien-14-one
CHEMBL963
Codoxy
Combunox
Numorphan
OXYMORPHONE
Opana
Oxycet
PERCODAN-DEMI
Percocet
Percodan
Roxicet
Roxilox
Roxiprin
Tylox
Tylox-325

BDBM50004547

34 IC50

Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
Tyrosine-protein kinase Mer
Tyrosine-protein kinase receptor TYRO3
Tyrosine-protein kinase receptor UFO
p110α/p85α
p110β/p85α

CHEMBL2216863
US10065963, Compound 28
US10428087, Example 15
US10519163, Example 28
US10675284, Example 28
US10829502, Example 15
US9708333, 28
US9975907, Example 15

BDBM50007692

19 Ki 13 IC50 2 Kd

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2C
5-hydroxytryptamine receptor 6
Adrenergic receptor alpha-2
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
D(2) dopamine receptor
Dopamine receptor
HTR6
Metabotropic glutamate receptor 3
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
Muscarinic acetylcholine receptor M5
Serotonin (5-HT) receptor
Serotonin 1 (5-HT1) receptor
Serotonin 2 (5-HT2) receptor
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)

8-[4-(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-butyl]-8-aza-spiro[4.5]decane-7,9-dione
CHEMBL1204189
CHEMBL35057
TIOSPERONE

BDBM50008059

29 IC50 5 Kd

Bcr-Abl
Heat Shock Protein 90 (Hsp90)
Heat shock protein 90, putative
Heat shock protein HSP 90
Heat shock protein HSP 90-alpha
Heat shock protein HSP 90-beta
Heat-shock protein 90 (Hsp90)

CHEBI:5292
GELDANAMYCIN

BDBM50008072

18 Ki 7 IC50 4 Kd 5 EC50

Cytochrome P450 2A13
Cytochrome P450 2A6
Muscarinic acetylcholine receptor
Muscarinic acetylcholine receptor DM1
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M2 and M5
Muscarinic acetylcholine receptor M5

(+)-pilocarpine
(3S,4R)-3-ethyl-4-[(1-methyl-1H-imidazol-5-yl)methyl]dihydrofuran-2(3H)-one
(3S,4R)-3-ethyldihydro-4-((1-methyl-1H-imidazol-5-yl)methyl)-2(3H)-furanone
(3S-cis)-3-ethyldihydro-4-[(1-methyl-1H-imidazol-5-yl)methyl]-2(3H)-furanone
CHEMBL550
ISOPTO CARPINE
PILOCARPINE
PILOCARPINE HYDROCHLORIDE

BDBM50012060

34 IC50

Axin-1/Glycogen synthase kinase-3 beta
Cytochrome P450 2C19
Cytochrome P450 2C8
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Cytoplasmic tyrosine-protein kinase BMX
Epidermal growth factor receptor
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Inhibitor of nuclear factor kappa-B kinase subunit beta
Insulin receptor
Insulin-like growth factor I receptor
Interleukin-1 receptor-associated kinase 4
MAP kinase-activated protein kinase 2
MAP kinase-activated protein kinase 3
Potassium voltage-gated channel subfamily H member 2
Proto-oncogene tyrosine-protein kinase Src
Tyrosine-protein kinase BTK
Tyrosine-protein kinase ITK/TSK
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase JAK3
Tyrosine-protein kinase TEC
Tyrosine-protein kinase TXK
Tyrosine-protein kinase receptor FLT3

CHEMBL3263640

BDBM50020883

34 IC50

Betaine transporter
GABA transporter
GABA transporter 1
GABA transporter 3
Sodium- and chloride-dependent GABA transporter 1

(R)-Piperidine-3-carboxylic acid
(R)-nipecotic acid
CHEMBL77575
Nipecotic acid

BDBM50026603

17 Ki 6 IC50 11 EC50

Delta-type opioid receptor
Kappa-type opioid receptor
Mu-type opioid receptor
Nociceptin receptor

BUPRENORPHINE
Buprenorphine
CHEBI:3216

BDBM50038002

28 Ki 2 IC50 4 Kd

Acrosin
Coagulation factor III/Factor VIIa (fVIIa)
Coagulation factor X
Coagulation factor XI
Complement C1s
Glutamate delta 2
Kallikrein 5
Matriptase
Plasminogen
Prothrombin
Thrombin
Thrombin & trypsin
Tissue-type plasminogen activator
Trypsin
Trypsin II
Trypsin-1
Urokinase-type plasminogen activator

Benzamidine (Protonated)
CHEMBL20936
CHEMBL537204
benzamidine

BDBM50041457

1 Ki 29 IC50 1 Kd 3 EC50

3C-like proteinase
3C-like proteinase (3CL-PRO)
Beta amyloid A4 protein
Bile salt export pump
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C8
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 2J2
Cytochrome P450 3A
Heparanase
Histamine N-methyltransferase
Histidine-rich protein
Phosphoehtnaolamine Methyltransferases 1 (PMT1)
Phosphoehtnaolamine Methyltransferases 2 (PMT2)
Phosphoethanolamine N-methyltransferase
Potassium voltage-gated channel subfamily H member 2
Replicase polyprotein 1ab

4-[(7-chloroquinolin-4-yl)amino]-2-[(diethylamino)methyl]phenol
AMODIAQUINE
CHEMBL682
med.21724, Compound 188

BDBM50061306

10 Ki 21 IC50 3 Kd

Adrenaline alpha1
Bile salt export pump
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
Cytochrome P450 3A
Cytochrome P450 3A5 (CYP3A5)
HIV-1 protease
Human immunodeficiency virus type 1 protease
Multidrug resistance protein 1/Multidrug resistance associated protein 1
Multidrug resistance-associated protein 4
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

(3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-methyl-benzoylamino)-4-phenylsulfanyl-butyl]-decahydro-isoquinoline-3-carboxylic acid tert-butylamide; compound with methanesulfonic acid
AG-1343
CHEMBL1205
NELFINAVIR MESYLATE
Nelfinavir
Viracept

BDBM50065115

5 Ki 29 IC50

AVPR1A
Oxytocin receptor
Vasopressin V1a receptor
Vasopressin V2 Receptor
Vasopressin V2 receptor

3-chloro-4-(10,11-dihydro-5H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-10-ylcarbonyl)-1-(5-fluoro-2-methylphenylcarboxamido)benzene
CHEMBL49429
Lixivaptan
N-[4-(5H,11H-Benzo[e]pyrrolo[1,2-a][1,4]diazepine-10-carbonyl)-3-chloro-phenyl]-5-fluoro-2-methyl-benzamide

BDBM50067424

34 Ki

GABA A receptor alpha-2/beta-2/gamma-2
GABA A receptor alpha-3/beta-2/gamma-2
GABA receptor alpha-1/beta-3/gamma-2 subunit
GABA receptor alpha-2/beta-3/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-3/gamma-2 subunit
Gamma-aminobutyric acid receptor subunit alpha-1
Gamma-aminobutyric acid receptor subunit alpha-2/beta-2
Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))

(S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester
9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11b-triaza-benzo[g]cyclopenta[e]azulene-3-carboxylic acid ethyl ester(MSD)
CHEMBL52030

BDBM50089194

10 Ki 24 IC50

72 kDa type IV collagenase
Aminopeptidase
Angiotensin-converting enzyme
Cereblon/Histone deacetylase 1
Cereblon/Histone deacetylase 6
Dipeptidyl peptidase 4
Endothelin-converting enzyme 1 (ECE1)
Interstitial collagenase
Matrix metalloproteinase-9
Meprin A subunit beta
Neprilysin
Neutrophil collagenase
Peptide deformylase
Peptide deformylase 1A, chloroplastic
Peptide deformylase mitochondrial
Stromelysin-1

(R)-N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-pentyl-succinamide
(R)-N4-hydroxy-N1-((S)-1-((S)-2-(hydroxymethyl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-yl)-2-pentylsuccinamide
ACTINONIN
CHEMBL308333
N*4*-Hydroxy-N*1*-[(S)-1-((S)-2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-(R)-pentyl-succinamide
N*4*-Hydroxy-N*1*-[1-(2-hydroxymethyl-pyrrolidine-1-carbonyl)-2-methyl-propyl]-2-pentyl-succinamide

BDBM50092081

34 IC50

ALK tyrosine kinase receptor
BDNF/NT-3 growth factors receptor
Cytoplasmic tyrosine-protein kinase BMX
Fibroblast growth factor receptor 3
Fibroblast growth factor receptor 4
Hepatocyte growth factor receptor
High affinity nerve growth factor receptor
Insulin receptor
Insulin-like growth factor I receptor
Macrophage colony-stimulating factor 1 receptor (CSF1R)
Macrophage-stimulating protein receptor
Mast/stem cell growth factor receptor Kit
NT-3 growth factor receptor
Platelet-derived growth factor receptor beta
Proto-oncogene tyrosine-protein kinase ROS
Proto-oncogene tyrosine-protein kinase Src
Proto-oncogene tyrosine-protein kinase receptor Ret
Serine/threonine-protein kinase B-raf
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase Fgr
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase Lck
Tyrosine-protein kinase Lyn
Tyrosine-protein kinase Mer
Tyrosine-protein kinase SYK
Tyrosine-protein kinase ZAP-70
Tyrosine-protein kinase receptor FLT3
Tyrosine-protein kinase receptor TYRO3
Tyrosine-protein kinase receptor Tie-1
Vascular endothelial growth factor receptor 1
Vascular endothelial growth factor receptor 2

CHEMBL3582442

BDBM50092082

34 IC50

ALK tyrosine kinase receptor
BDNF/NT-3 growth factors receptor
Cytoplasmic tyrosine-protein kinase BMX
Fibroblast growth factor receptor 3
Fibroblast growth factor receptor 4
Hepatocyte growth factor receptor
High affinity nerve growth factor receptor
Insulin receptor
Insulin-like growth factor I receptor
Macrophage colony-stimulating factor 1 receptor (CSF1R)
Macrophage-stimulating protein receptor
Mast/stem cell growth factor receptor Kit
NT-3 growth factor receptor
Platelet-derived growth factor receptor beta
Proto-oncogene tyrosine-protein kinase ROS
Proto-oncogene tyrosine-protein kinase Src
Proto-oncogene tyrosine-protein kinase receptor Ret
Serine/threonine-protein kinase B-raf
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase Fgr
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase Lck
Tyrosine-protein kinase Lyn
Tyrosine-protein kinase Mer
Tyrosine-protein kinase SYK
Tyrosine-protein kinase ZAP-70
Tyrosine-protein kinase receptor FLT3
Tyrosine-protein kinase receptor TYRO3
Tyrosine-protein kinase receptor Tie-1
Vascular endothelial growth factor receptor 1
Vascular endothelial growth factor receptor 2

CHEMBL3582441

BDBM50109461

32 Ki 2 IC50

Adenosine receptor A1
Adenosine receptor A2a
Adenosine receptor A2b
Adenosine receptor A3

1-(2-(furan-2-yl)-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenylurea
1-(2-Furan-2-yl-8-methyl-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-yl)-3-phenyl-urea
CHEMBL324735
MRE 3046F20

BDBM50174702

34 IC50

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 1B
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-1 adrenergic receptor
Beta-2 adrenergic receptor
C-C chemokine receptor type 1
C-C chemokine receptor type 2
C-C chemokine receptor type 3
C-C chemokine receptor type 5
C-C chemokine receptor type 6 (CCR6)
D(1A) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
D(4) dopamine receptor
Delta-type opioid 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 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor

(R)-N-(2-(3-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CHEMBL198949

BDBM50179207

34 IC50

Casein kinase I
Cyclin-dependent kinase 1
Cyclin-dependent kinase 2
Cyclin-dependent kinase 4
Cyclin-dependent kinase 7
Epidermal growth factor receptor
Fibroblast growth factor receptor 1
Focal adhesion kinase 1
Glycogen synthase kinase-3
Insulin receptor
Mitogen-activated protein kinase 1
Platelet-derived growth factor receptor alpha
Platelet-derived growth factor receptor beta
Proto-oncogene tyrosine-protein kinase Src
Receptor tyrosine-protein kinase erbB-2
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase Fyn
Tyrosine-protein kinase Lck
Vascular endothelial growth factor receptor
cAMP-dependent protein kinase (PKA)

3-fluoro-N-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)phenylamine
CHEMBL120077
JNJ-10198409

BDBM50187377

30 Ki 2 IC50 2 EC50

5-hydroxytryptamine receptor 1A
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 5A
5-hydroxytryptamine receptor 6
5-hydroxytryptamine receptor 7
Adrenergic receptor beta
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
Angiotensin II receptor
Cholecystokinin receptor
D(2) dopamine receptor
Dopamine receptor
Endothelin receptor, ET-A/ET-B
Muscarinic acetylcholine receptor
Nociceptin receptor
Opioid receptors; mu/kappa/delta
Potassium voltage-gated channel subfamily H member 2
Serotonin 1B/1D receptor
Serotonin 3 receptor (5HT3)
Sigma non-opioid intracellular receptor 1
Sodium-dependent dopamine transporter
Sodium-dependent noradrenaline transporter
Somatostatin receptor
Translocator protein

CHEMBL209821
N-(3-(4-(4-(cyclohexylmethylsulfonamido)butyl)piperazin-1-yl)phenyl)acetamide
N-{3-[4-(4-cyclohexylmethanesulfonylamino-butyl)-piperazin-1-yl]-phenyl}-acetamide

BDBM50205472

17 Ki 17 IC50

Aurora kinase A/B
Aurora kinase A/Targeting protein for Xklp2
CDK2/CycE
CDK7/Cyclin H/MNAT1
Cyclin-Dependent Kinase 1 (CDK1)
Cyclin-Dependent Kinase 2 (CDK2)
Cyclin-Dependent Kinase 4 (CDK4)
Cyclin-Dependent Kinase 5 (CDK5)
Cyclin-Dependent Kinase 9 (CDK9)
Cyclin-dependent kinase 1
Cyclin-dependent kinase 2
Cyclin-dependent kinase 4
Ephrin type-B receptor 3 (EPHB3)
Glycogen synthase kinase-3
Mitogen-activated protein kinase 1
Protein kinase C alpha type
Protein kinase C delta type
RAC-alpha serine/threonine-protein kinase
Ribosomal protein S6 kinase alpha-3
Serine/threonine-protein kinase AKT
Tyrosine-protein kinase Fyn

(5Z)-5-(quinolin-6-ylmethylidene)-2-[(thiophen-2-ylmethyl)amino]-1,3-thiazol-4(5H)-one
(Z)-5-(quinolin-6-ylmethylene)-2-(thiophen-2-ylmethylamino)thiazol-4(5H)-one
CHEMBL261644
CHEMBL393929

BDBM50214744

20 Ki 14 IC50

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

(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

BDBM50231569

34 Ki

5-hydroxytryptamine receptor 1A
Adrenergic receptor beta
Alpha-2A adrenergic receptor
Cholecystokinin receptor
D(1A) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
Glutamate NMDA receptor; Grin1/Grin2c
Glycine receptor alpha-4 chain
Histamine H1 receptor
Histamine H3 receptor
Interleukin-6 receptor alpha chain
Kappa-type opioid receptor
Leukotriene B4 receptor 1
Mu-type opioid receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Nischarin
Opioid receptors; mu & delta
Serotonin (5-HT) receptor
Serotonin 1B/1D receptor
Serotonin 2 (5-HT2) receptor
Serotonin 3a (5-HT3a)/3b (5-HT3b) receptor
Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
Sigma non-opioid intracellular receptor 1
Thyrotropin-releasing hormone receptor
Voltage-gated L-type calcium channel

CILANSETRON
Cilansetron
KC-9946

BDBM50250875

34 IC50

Cytochrome P450
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6
Cytochrome P450 3A
Mono [ADP-ribose] polymerase PARP16
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
Tankyrase 1/2

CHEMBL4095003

BDBM50265079

34 IC50

72 kDa type IV collagenase
A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4)
A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS-5)
Collagenase 3
Cytochrome P450 1A
Cytochrome P450 2B6
Cytochrome P450 2C19
Cytochrome P450 2C8
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Interstitial collagenase
Matrix metalloproteinase 17
Matrix metalloproteinase-12 (MMP12)
Matrix metalloproteinase-14 (MMP14)
Matrix metalloproteinase-7 (MMP7)
Matrix metalloproteinase-9
Neutrophil collagenase
Solute carrier family 22 member 8
Stromelysin-1

(4-[1-methyl-2,4-dioxo-6-(3-phenyl-prop-1-ynyl)-1,4-dihydro-2H-quinazolin-3-ylmethyl]-benzoic acid)
4-((1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-1,2-dihydroquinazolin-3(4H)-yl)methyl)benzoic acid
4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
CHEMBL496942
MMP Inhibitor, 5

BDBM50269615

34 IC50

Cytoplasmic tyrosine-protein kinase BMX
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)
Epidermal growth factor receptor
Lysyl-tRNA synthetase
Macrophage colony-stimulating factor 1 receptor (CSF1R)
Platelet-derived growth factor receptor alpha
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
Ribosomal protein S6 kinase alpha 1
Serine/threonine-protein kinase NEK2
Serine/threonine-protein kinase PLK1
Serine/threonine-protein kinase RIPK2
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase BRK
Tyrosine-protein kinase BTK
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 TEC
Tyrosine-protein kinase TXK
Tyrosine-protein kinase Yes
Tyrosine-protein kinase receptor FLT3

CHEMBL4095253

BDBM50277583

23 Ki 10 IC50 1 Kd

Aurora kinase A/Targeting protein for Xklp2
Aurora kinase B
Axin-1/Glycogen synthase kinase-3 beta
CDK2/CycE
Cyclin-Dependent Kinase 1 (CDK1)
Cyclin-Dependent Kinase 2 (CDK2)
Cyclin-Dependent Kinase 7 (CDK7)
Cyclin-Dependent Kinase 9 (CDK9)
Cyclin-dependent kinase 1
Cyclin-dependent kinase 2
Cyclin-dependent kinase 4
Cyclin-dependent kinase 7
Cyclin-dependent kinase 9
Ferrochelatase R115L (FECH)
G1/S-specific cyclin-D1
G1/S-specific cyclin-E1
Glycogen synthase kinase-3
Mitogen-activated protein kinase 1
Mitogen-activated protein kinase 14
Proto-oncogene tyrosine-protein kinase Src
RAC-alpha serine/threonine-protein kinase
Ribosomal protein S6 kinase (P70S6K)
Serine/threonine-protein kinase Aurora-C
Serine/threonine-protein kinase PLK1
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase Lck
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 2

2-amino-4-methyl-1,3-thiazol-5-yl)-N-[4-(morpholin-4-yl)phenyl]pyrimidin-2-amine, 5
4-Methyl-5-(2-(4-morpholinophenylamino)pyrimidin-4-yl)thiazol-2-amine
Aminopyrimidine, 9
CHEMBL482967
CYC-116

BDBM50312990

1 IC50 33 Kd

Aurora kinase A/Targeting protein for Xklp2
Aurora kinase B
Axin-1/Glycogen synthase kinase-3 beta
CDC2-like kinase 3 (CLK3)
Cyclin-dependent kinase 19
Cyclin-dependent kinase 2
Cyclin-dependent kinase 3 (CDK3)
Cyclin-dependent kinase 7
Cyclin-dependent kinase 8
Cyclin-dependent kinase 9
Cyclin-dependent-like kinase 5
Dual specificity protein kinase CLK2
Dual specificity protein kinase CLK4
Dual specificity protein kinase TTK
Dual specificty protein kinase CLK1
Dual-specificity tyrosine-regulated kinases 1B
Extracellular signal-regulated kinase 5 (ERK5)
Glycogen synthase kinase-3
Interferon-induced, double-stranded RNA-activated protein kinase
Mitogen-activated protein kinase 1
Mitogen-activated protein kinase 15
Mitogen-activated protein kinase 3
Mitogen-activated protein kinase 4
Mitogen-activated protein kinase 6
Protein kinase C alpha type
Serine/threonine-protein kinase Aurora-C
Serine/threonine-protein kinase PCTAIRE-1
Serine/threonine-protein kinase PCTAIRE-2
Serine/threonine-protein kinase PCTAIRE-3
Serine/threonine-protein kinase PLK1
Serine/threonine-protein kinase PLK3
Serine/threonine-protein kinase PLK4
Tyrosine-protein kinase STK16 (STK16)

(R,S)-3-(3-(2,3-dihydroxypropylamino)phenyl)-4-(5-fluoro-1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione
CHEMBL1082152

BDBM50346918

1 Ki 33 IC50

ALK tyrosine kinase receptor
Angiopoietin-1 receptor
Aurora kinase A/Targeting protein for Xklp2
Casein kinase I isoform alpha
Cyclin-dependent kinase 2
Dual specificity mitogen-activated protein kinase kinase 1
Dual specificity mitogen-activated protein kinase kinase 4
Dual specificity mitogen-activated protein kinase kinase 6
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)
Epidermal growth factor receptor
Inhibitor of nuclear factor kappa-B kinase subunit alpha
Inhibitor of nuclear factor kappa-B kinase subunit beta
MAP kinase-activated protein kinase 2
MAP kinase-activated protein kinase 3
Mitogen-activated protein kinase 1
Mitogen-activated protein kinase 10
Mitogen-activated protein kinase 11
Mitogen-activated protein kinase 14
Mitogen-activated protein kinase 3
Mitogen-activated protein kinase 8
Mitogen-activated protein kinase 9
Rho-associated protein kinase 2
Serine/threonine-protein kinase CHK2
Serine/threonine-protein kinase MST2
Serine/threonine-protein kinase PLK3
Serine/threonine-protein kinase TBK1
Tyrosine- and threonine-specific cdc2-inhibitory kinase
Tyrosine-protein kinase BTK
Tyrosine-protein kinase Lyn
Tyrosine-protein kinase SYK
Tyrosine-protein kinase ZAP-70
Tyrosine-protein kinase receptor FLT3

CHEMBL1738710

BDBM50363397

1 Ki 31 IC50 1 Kd 1 EC50

BRAF/CRAF
EBifunctional epoxide hydrolase 2
Ephrin type-A receptor 2 (EPHA2)
Fibroblast growth factor receptor 1
Glycine receptor subunit alpha-1
Mast/stem cell growth factor receptor Kit
Platelet-derived growth factor receptor beta
Proto-oncogene tyrosine-protein kinase receptor Ret
RAF proto-oncogene serine/threonine-protein kinase
RET kinase mutant (V804L)
RET kinase mutant (V804M)
Serine/threonine-protein kinase B-raf
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 1
Vascular endothelial growth factor receptor 2
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
Vascular endothelial growth factor receptor 3