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

BDBM11242

27 IC50

3-phosphoinositide dependent protein kinase-1
3C-like proteinase (3CL-PRO)
Angiopoietin-1 receptor
Aurora kinase A/Targeting protein for Xklp2
Axin-1/Glycogen synthase kinase-3 beta
Epidermal growth factor receptor
Fibroblast growth factor receptor 1
Mast/stem cell growth factor receptor Kit
Mitogen-activated protein kinase 1
Mitogen-activated protein kinase 8
Platelet-derived growth factor receptor beta
Protein kinase C alpha type
Proto-oncogene tyrosine-protein kinase Src
RAC-alpha serine/threonine-protein kinase
Replicase polyprotein 1ab
Serine/threonine-protein kinase B-raf
Signal transducer and activator of transcription 3
Tyrosine-protein kinase ABL1
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase Lyn
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 2

5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide
med.21724, Compound 76
niclosamide

BDBM112499

27 IC50

Calmodulin/Proto-oncogene tyrosine-protein kinase Src
Epidermal growth factor receptor
Proto-oncogene tyrosine-protein kinase Src
Receptor protein-tyrosine kinase erbB-4
Receptor tyrosine-protein kinase erbB-2
Tyrosine-protein kinase JAK3
Tyrosine-protein kinase Lck

DACOMITINIB
US8623883, No. 2

BDBM11885

6 Ki 21 IC50

72 kDa type IV collagenase
Collagenase 3
Interstitial collagenase
Matrix metalloproteinase-14 (MMP14)
Matrix metalloproteinase-7 (MMP7)
Matrix metalloproteinase-9
Neutrophil collagenase
Stromelysin-1

CHEMBL1082381
N-Hydroxy-4-{[4-(phenylthio)phenyl]sulfonyl}-1-(2-propynyl)-4-piperidinecarboxamide, Monohydrochloride
N-hydroxy-4-{[4-(phenylsulfanyl)benzene]sulfonyl}-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride
SC-276
alpha-sulfone 35f

BDBM120262

13 Ki 14 IC50

Acetylcholinesterase
Butyrylcholinesterase (BChE)
Cholinesterases
Genome polyprotein

EDROPHONIUM BROMIDE
EDROPHONIUM CHLORIDE
Edrophonium
Edrophonium Chloride, 3
cid_8307

BDBM13014

23 Ki 4 IC50

Adrenergic receptor alpha-2
Alpha-2A adrenergic receptor
Phenylethanolamine N-methyltransferase

7,8-Dichloro-1,2,3,4-tetrahydro-isoquinoline; hydrochloride
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
CHEMBL287837
CHEMBL541797
SKF 64139
tetrahydroisoquinoline (THIQ) analogue

BDBM159748

27 IC50

Amine oxidase (flavin-containing) A
E3 ubiquitin-protein ligase XIAP/JAK1
E3 ubiquitin-protein ligase XIAP/JAK2
JAK1/JAK2/TYK2
JAK1/TYK2
JAK2/JAK1
JAK2/TYK2
JAK3/JAK1
Non-receptor tyrosine-protein kinase TYK2
Tyrosine-protein kinase JAK1
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase JAK3
Vascular endothelial growth factor receptor 2

US9035074, 2

BDBM16127

23 Ki 4 IC50

Chymase
Chymotrypsin
Coagulation factor X
Glandular kallikrein
Plasminogen
Prothrombin
Thrombin
Trypsin
Trypsin-1
Tryptase
Tryptase beta-1/beta-2
Urokinase-type plasminogen activator

2,2 -methanediylbis(1H-benzimidazole-6-carboximidamide)
2-[(6-carbamimidoyl-1H-1,3-benzodiazol-2-yl)methyl]-1H-1,3-benzodiazole-6-carboximidamide
AIDS007118
BABIM
CHEMBL542712
CHEMBL99951

BDBM163866

27 Ki

Orexin receptor type 1
Orexin receptor type 1 (OX1)
Orexin receptor type 2

US9062078, 2
US9062078, 3A
US9062078, 3B
US9475819, 2
US9637496, 3B
US9695183, 3B

BDBM18869

6 Ki 13 IC50 8 EC50

Thyroid hormone receptor alpha
Thyroid hormone receptor beta

2-{3,5-dichloro-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetic acid
CHEMBL41036
KB-141

BDBM199250

27 IC50

Aurora kinase A/Targeting protein for Xklp2
Axin-1/Glycogen synthase kinase-3 beta
Casein kinase I isoform alpha
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
LIM domain kinase 1
Myosin light chain kinase, smooth muscle
Myotonin-protein kinase
PAK 1/CDC42
Protein kinase N1
RAC-alpha serine/threonine-protein kinase
Rho-associated protein kinase 1
Rho-associated protein kinase 2
Ribosomal protein S6 kinase (P70S6K)
Ribosomal protein S6 kinase alpha 1
Serine/threonine-protein kinase MRCK-A
Serine/threonine-protein kinase Sgk1
Serine/threonine-protein kinase TBK1
Tyrosine kinase non-receptor protein 2
Tyrosine-protein kinase JAK2

US9221808, 1bo
US9221808, 1bo-HCl
US9221808, 1bo-Mes

BDBM22030

27 Ki

Nitric Oxide Synthase, brain
Nitric Oxide Synthase, brain Mutant (D597N)
Nitric Oxide Synthase, endothelial
Nitric Oxide Synthase, endothelial Mutant (N368D)
Nitric Oxide Synthase, inducible
Nitric oxide synthase, brain
Nitric-oxide synthase, brain

(2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(E)-imino(nitroamino)methyl]amino}pentanamide
(2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[(Z)-imino(nitroamino)methyl]amino}pentanamide
(2S)-2-amino-N-[(1S)-3-amino-1-(aminocarbonyl)propyl]-5-{[imino(nitroamino)methyl]amino}pentanamide
(2S)-2-amino-N-[(1S)-3-amino-1-carbamoylpropyl]-5-(1-nitrocarbamimidamido)pentanamide
CHEMBL1204421
CHEMBL44833
CHEMBL481413
JMC522060 Compound 1
L-Arg NO2-L-Dbu-NH2
L-N(OMEGA)-NITROARGININE-2,4-L-DIAMINOBUTYRIC AMIDE
L-Nomega-nitroarginine-2,4-L-diaminobutyramide
dipeptide amide inhibitor I

BDBM22851

4 Ki 23 IC50

Acetylcholinesterase
Acyl-CoA: cholesterol acyltransferase (ACAT)
Cholinesterases
Dual Specificity Protein Phosphatase 1
Dual specificity phosphatase Cdc25B
Factor XIIa
Hematopoietic cell protein-tyrosine phosphatase 70Z-PEP
Human rhinovirus A protease
Indoleamine 2,3-dioxygenase
Leukocyte common antigen
MKP-3
Papain
Protein-tyrosine phosphatase 1B

1,2-Dione-Based Compound, 8
1,2-dihydronaphthalene-1,2-dione
1,2-naphthoquinone
CHEMBL52347
cid_10667

BDBM23164

5 Ki 2 IC50 20 EC50

Sphingosine 1-phosphate receptor 1
Sphingosine 1-phosphate receptor 2
Sphingosine 1-phosphate receptor 3
Sphingosine 1-phosphate receptor 4
Sphingosine 1-phosphate receptor 5

CHEMBL190006
FTY720-phosphate, (R)-2
[(2R)-2-amino-3-hydroxy-2-[2-(4-octylphenyl)ethyl]propoxy]phosphonic acid

BDBM246196

27 IC50

Coagulation factor XI
Plasma kallikrein

US10183932, Example 105
US9434690, 101
US9434690, 102
US9434690, 103
US9434690, 104
US9434690, 105
US9822102, Example 105

BDBM254218

9 Ki 18 IC50

P2X purinoceptor 7
P2X purinoceptor 7 (P2X7)

US10112937, Example 103
US10150765, Example 103
US10703749, Example 103
US9464084, 103

BDBM25762

6 Ki 15 IC50 5 Kd 1 EC50

ADRB2
Adrenergic receptor beta
Bcl-2-like protein 11
Beta-1 adrenergic receptor
Beta-2 adrenergic receptor
Beta-3 adrenergic receptor
Bile salt export pump
Calcium channel (Type L)
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
Multidrug resistance-associated protein 4
Serotonin 1B/1D receptor
Serum albumin
Voltage-gated L-type calcium channel

CHEMBL471
N-{4-[1-hydroxy-2-(propan-2-ylamino)ethyl]phenyl}methanesulfonamide
SOTALOL HYDROCHLORIDE
Sotalol
Sotalol,(+)
Sotalol,(-)
cid_66245

BDBM279039

27 IC50

Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A
Phosphodiesterase, PDE1/PDE5

5-(2-ethoxy-3-pyridyl)-1-[1-methylpropyl]-N-[(1-methylpyrazol-4-yl)methyl]pyrazolo[4,3-b]pyridin-7-amine, enantiomer 1
US10034861, Example 69
US10034861, Example 70
US10512632, Example 70
US10618913, Example S69
US10766893, Example S70
US10806718, Example 70

BDBM279088

27 IC50

Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A
Phosphodiesterase, PDE1/PDE5

5-(2-ethoxy-3-pyridyl)-3-methyl-1-[1-methylpropyl]-N-(1H-pyrazol-3-ylmethyl)pyrazolo[4,3-b]pyridin-7-amine,enantiomer 1
US10034861, Example 119
US10034861, Example 120
US10512632, Example 120
US10618913, Example S120
US10766893, Example S120
US10806718, Example 120

BDBM28800

10 IC50 17 EC50

Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C8
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Peroxisome Proliferator-Activated Receptor alpha
Peroxisome proliferator-activated receptor
Peroxisome proliferator-activated receptor alpha
Peroxisome proliferator-activated receptor alpha (PPAR alpha)
Peroxisome proliferator-activated receptor delta

2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy}phenyl)methyl](methoxycarbonyl)amino}acetic acid
BMS-687453

BDBM29644

6 Ki 15 IC50 6 EC50

5-hydroxytryptamine receptor 1A
Apoptosis regulator Bcl-2
BCL-W
Bcl-2-related protein A1
Bile salt export pump
D(2) dopamine receptor
D(3) dopamine receptor
DNA dC->dU-editing enzyme APOBEC-3G
Dopamine receptor
Induced myeloid leukemia cell differentiation protein Mcl-1
Isoform Bcl-X(L)
MPI protein
Opioid receptor
POsterior Segregation family member (pos-1)
RecName: Full=Zinc finger protein mex-5
Runt-Related Transcription Factor 1 Isoform AML1C
Serotonin (5-HT) receptor
eukaryotic translation initiation factor 4 gamma, 1 isoform 4

(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol;hydrate;hydrochloride
APOMORPHINE HYDROCHLORIDE
APOMORPHINE HYDROCHLORIDE HEMIHYDRATE
MLS000069811
SMR000059235
cid_6852399

BDBM31072

22 IC50 5 EC50

5-hydroxytryptamine receptor 1A
Angiotensin II receptor
Apelin receptor
Bcl-2-like protein 11
DNA damage-inducible transcript 3 protein
Histone acetyltransferase GCN5
Histone acetyltransferase p300
Inosine-5'-monophosphate dehydrogenase
Inosine-5'-monophosphate dehydrogenase (IMPDH)
Lanosterol synthase
Nuclear receptor ROR-alpha
Serotonin (5-HT) receptor
Sphingosine 1-phosphate receptor 1
Sphingosine 1-phosphate receptor 3
Steroidogenic Factor 1
Tumor necrosis factor
XBP1
nucleotide-binding oligomerization domain containing 1
nucleotide-binding oligomerization domain containing 2

2-[(1,1-dioxido-1-benzothien-3-yl)thio]-5-phenyl-1,3,4-oxadiazole
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-benzothiophene 1,1-dioxide
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]-1-benzothiophene 1,1-dioxide
3-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]benzothiophene 1,1-dioxide
MLS000088644
SMR000072650
cid_890649

BDBM32329

12 IC50 15 EC50

Apoptosis regulator Bcl-2
Apoptotic peptidase activating factor 1
Axin-1/Glycogen synthase kinase-3 beta
BCL-W
Bcl-2-related protein A1
Caspase-9
DNA damage-inducible transcript 3 protein
DNA repair protein RAD51 homolog 1
G protein signalling regulator 19
G-protein coupled receptor 35
Induced myeloid leukemia cell differentiation protein Mcl-1
Isoform Bcl-X(L)
LAP4
Microtubule-associated protein Tau isoform 2N4R (Tau 2N4R)
Mitogen-activated protein kinase kinase kinase kinase 2
Phospholipase A2
RGS7
RPL19A
Regulator of G-protein signaling 8
XBP1
cysteine protease ATG4B isoform a
regulator of G-protein signaling 4
regulator of G-protein signalling 16

(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-1,3-benzothiazole;iodide
(2Z)-3-ethyl-2-[(E)-3-(3-ethyl-1,3-benzothiazol-3-ium-2-yl)-2-methylprop-2-enylidene]-1,3-benzothiazole;iodide
Cyanines, 1
MLS001018610
SMR000354813
cid_6364517

BDBM33066

13 IC50 14 EC50

Apoptosis regulator Bcl-2
Apoptotic peptidase activating factor 1
BCL-W
Bcl-2-related protein A1
Beta-galactosidase
C-C chemokine receptor type 6 (CCR6)
Caspase-9
Estradiol receptor beta (ERβ)
G protein signalling regulator 19
Glucose 6-phosphate dehydrogenase (G6PD)
Homo sapiens huntingtin (HTT), mRNA
Induced myeloid leukemia cell differentiation protein Mcl-1
NCOA2 protein
RGS7
Regulator of G-protein signaling 8
eukaryotic translation initiation factor 4 gamma, 1 isoform 4
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
glutathione S-transferase
nuclear receptor coactivator 1 isoform 1
nuclear receptor coactivator 3 isoform a
regulator of G-protein signaling 4
regulator of G-protein signalling 16
streptokinase A precursor

2,5-bis(chloranyl)-3-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-pyrrolidin-1-yl-cyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-(1-pyrrolidinyl)benzo-1,4-quinone
2,5-dichloro-3-[2-(dimethylamino)-1,3-thiazol-5-yl]-6-pyrrolidin-1-ylcyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-[2-(dimethylamino)-5-thiazolyl]-6-(1-pyrrolidinyl)cyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-[2-(dimethylamino)thiazol-5-yl]-6-pyrrolidino-p-benzoquinone
MLS000548208
SMR000115102
cid_1002248

BDBM33090

5 Ki 9 IC50 13 EC50

Bcl-2-related protein A1
G protein signalling regulator 19
Glucose 6-phosphate dehydrogenase (G6PD)
MPI protein
Multidrug resistance protein 1/Multidrug resistance associated protein 1
RGS7
Regulator of G-protein signaling 8
Trypanosoma brucei RNA editing ligase 1
glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase
glutathione S-transferase
lens epithelium-derived growth factor p75
leucine aminopeptidase
regulator of G-protein signaling 4
regulator of G-protein signalling 16

(4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)amino]methylidene]-2,3-bis(oxidanyl)cyclohexa-2,5-dien-1-one
(4E)-4-[[(2-ethylimino-4-methyl-1,3-thiazol-3-yl)amino]methylidene]-2,3-dihydroxycyclohexa-2,5-dien-1-one
(4E)-4-[[(2-ethylimino-4-methyl-3-thiazolyl)amino]methylidene]-2,3-dihydroxy-1-cyclohexa-2,5-dienone
(4E)-4-[[(2-ethylimino-4-methyl-4-thiazolin-3-yl)amino]methylene]-2,3-dihydroxy-cyclohexa-2,5-dien-1-one
(4Z)-4-[[(2-ethylimino-4-methyl-4-thiazolin-3-yl)amino]methylene]-2,3-dihydroxy-cyclohexa-2,5-dien-1-one
MLS000564170
SMR000151702
cid_5825518

BDBM36181

13 Ki 5 IC50 3 Kd 1 EC50

0 ΔG°

β-Carbonic anhydrase (CA1)
Carbonic Anhydrase VA
Carbonic anhydrase 1
Carbonic anhydrase 2
Carbonic anhydrase 4
Carbonic anhydrase 9
D-Aspartate Oxidase (DDO)
D-amino-acid oxidase
Metabotropic glutamate receptor 5
Serine racemase
Solute carrier family 22 member 20
Solute carrier family 22 member 6
beta-Carbonic Anhydrase

SODIUM BENZOATE
benzoate
benzoic acid
benzoic acid-d5

BDBM43363

5 Ki 9 IC50 13 EC50

Beta-galactosidase
C-C chemokine receptor type 6 (CCR6)
DNA damage-inducible transcript 3 protein
E3 ubiquitin-protein ligase Mdm2
G protein signalling regulator 19
Induced myeloid leukemia cell differentiation protein Mcl-1
RGS7
Regulator of G-protein signaling 8
XBP1
eukaryotic translation initiation factor 4 gamma, 1 isoform 4
matrix metalloproteinase 1
putative hexokinase HKDC1
regulator of G-protein signaling 4
regulator of G-protein signalling 16

2,5-bis(chloranyl)-3-piperidin-1-yl-6-(2-piperidin-1-yl-1,3-thiazol-5-yl)cyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-(1-piperidinyl)-6-[2-(1-piperidinyl)-1,3-thiazol-5-yl]benzo-1,4-quinone
2,5-dichloro-3-(1-piperidinyl)-6-[2-(1-piperidinyl)-5-thiazolyl]cyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-piperidin-1-yl-6-(2-piperidin-1-yl-1,3-thiazol-5-yl)cyclohexa-2,5-diene-1,4-dione
2,5-dichloro-3-piperidino-6-(2-piperidinothiazol-5-yl)-p-benzoquinone
MLS000550549
SMR000115104
cid_406171

BDBM43822

4 Ki 1 IC50 22 EC50

CHRM5
D(2) dopamine receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
Muscarinic acetylcholine receptor M5

4-[2-(o-toluoylamino)ethylamino]piperidine-1-carboxylic acid ethyl ester;hydrochloride
4-[2-[[(2-methylphenyl)-oxomethyl]amino]ethylamino]-1-piperidinecarboxylic acid ethyl ester;hydrochloride
CHEMBL1624037
VU0357017
cid_25010775
ethyl 4-[2-[(2-methylbenzoyl)amino]ethylamino]piperidine-1-carboxylate;hydrochloride
ethyl 4-[2-[(2-methylphenyl)carbonylamino]ethylamino]piperidine-1-carboxylate;hydrochloride

BDBM50007567

20 Ki 7 IC50

5-hydroxytryptamine receptor 2A
ADRA1B
Alpha-1 Adrenergic Receptor/ adrenergic receptor/ adrenergic receptor
Alpha-1D adrenergic receptor
Cerebral cortex alpha adrenergic receptor
D(1A) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
D(4) dopamine receptor
DRD2
Histamine H1 receptor
Serotonin 2 (5-HT2) receptor

1-(8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-10-yl)-4-methyl-piperazine
CHEMBL64875
OCTOCLOTHEPIN-R

BDBM50014247

27 Ki

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2C
Alpha-1A adrenergic receptor
Alpha-2A adrenergic receptor
D(2) dopamine receptor
Dopamine transporter
HTR1D
HTR2C
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
SLC6A3
Serotonin (5-HT) receptor
Serotonin 1B/1D receptor
Sodium-dependent dopamine transporter
Sodium-dependent noradrenaline transporter
Sodium-dependent serotonin transporter

(3R,4S)-3-(4-Methoxy-phenoxymethyl)-1-methyl-4-phenyl-piperidine
3-(4-Methoxy-phenoxymethyl)-1-methyl-4-phenyl-piperidine(femoxetine)
CHEMBL94739
Femoxetine

BDBM50015639

2 Ki 25 IC50

ALK5
Activin receptor type-1
Activin receptor type-1B
Activin receptor-like kinase 3 (ALK-3)
Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Mitogen-activated protein kinase 14
Potassium voltage-gated channel subfamily H member 2
Serine/threonine-protein kinase RIPK2
Serine/threonine-protein kinase receptor R3
TGF-beta receptor type-1
Vascular endothelial growth factor receptor 2

CHEMBL3260567
USRE47141, Example 2

BDBM50016900

22 Ki 5 IC50

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2C
D(2) dopamine receptor
DRD1
HTR2B
Platelet glycoprotein VI
Serotonin 1 (5-HT1) receptor
Serotonin 1B/1D receptor
Serotonin 2 (5-HT2) receptor
Sigma non-opioid intracellular receptor 1

(E)-N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide
CHEMBL18786
CINANSERIN
N-(2-(3-(dimethylamino)propylthio)phenyl)cinnamamide
N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide
N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide (cinanserin)
N-[2-(3-Dimethylamino-propylsulfanyl)-phenyl]-3-phenyl-acrylamide(Cinanserin)

BDBM50029616

2 Ki 25 IC50

Cyclooxygenase
Cyclooxygenase-1 (COX-1)
Cyclooxygenase-2 (COX-2)

5-(4-Fluoro-phenyl)-1-(4-methanesulfonyl-phenyl)-3-trifluoromethyl-1H-pyrazole
5-(4-fluorophenyl)-1-(4-(methylsulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole
CHEMBL274990
SC-58125
SC58125

BDBM50029649

23 Ki 1 IC50 3 EC50

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

1-(1-(4-(1-acetylpiperidin-4-yloxy)-2-methoxybenzoyl)piperidin-4-yl)-1H-benzo[d][1,3]oxazin-2(4H)-one
1-{1-[4-(1-Acetyl-piperidin-4-yloxy)-2-methoxy-benzoyl]-piperidin-4-yl}-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CHEMBL24781
L-371257

BDBM50029766

27 IC50

Dihydrofolate Reductase (DHFR)
Dihydrofolate reductase
Dihydrofolate reductase (DHFR)

2,4-DIAMINO-5-METHYL-6-[(3,4,5-TRIMETHOXY-N-METHYLANILINO)METHYL]PYRIDO[2,3-D]PYRIMIDINE
5-Methyl-6-{[methyl-(3,4,5-trimethoxy-phenyl)-amino]-methyl}-pyrido[2,3-d]pyrimidine-2,4-diamine
CHEMBL50514

BDBM50029816

3 Ki 22 IC50 1 Kd 1 EC50

Amine oxidase [flavin-containing] B
Monoamine Oxidase Type B (MAO-B)
Monoamine oxidase

5-Chloro-pyridine-2-carboxylic acid (2-amino-ethyl)-amide
CHEMBL279390
Lazabemide
Ro-19-6327

BDBM50044675

27 IC50

Aurora kinase A/Targeting protein for Xklp2
Aurora kinase B
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Serine/threonine-protein kinase PLK4
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 2

CHEMBL3353354
US10358436, Example A56
US9907800, Example A56

BDBM50057128

25 Ki 2 IC50

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2C
Adrenergic receptor alpha-1
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(2) dopamine receptor
D(4) dopamine receptor
Histamine H1 receptor
Norepinephrine Monoamine transporters
Sodium-dependent dopamine transporter
Sodium-dependent serotonin transporter

(2-Benzofuran-6-yl-ethyl)-((R)-5-methoxy-1,2,3,4-tetrahydro-naphthalen-1-ylmethyl)-methyl-amine
A-80426
CHEMBL268258

BDBM50061669

26 Ki 1 EC50

5-hydroxytryptamine receptor 1A
D(2) dopamine receptor
D(3) dopamine receptor
D(4) dopamine receptor

(R)-2-(Benzylamino-methyl)-chroman-7-ol; oxalic acid
CHEMBL134807
CHEMBL64553

BDBM50062599

12 Ki 14 IC50 1 EC50

Acetylcholinesterase
Adrenergic Alpha
Bile salt export pump
Butyrylcholinesterase (BuChE)
GluN1/GluN2B NMDA receptor
Glutamate [NMDA] receptor subunit epsilon 1/zeta 1
Glutamate [NMDA] receptor subunit epsilon 2/zeta 1
Glutamate delta 2
Glutamate receptor ionotropic, NMDA 1
Glutamate receptor ionotropic, NMDA 2B
NMDA receptor subunit 2C (GluN2C)
NR1/NR2A

3,5-Dimethyl-adamantan-1-ylamine
CHEMBL807
MEMANTINE
Namenda
US10214478, Compound memantine

BDBM50067734

25 Ki 1 IC50 1 EC50

Cannabinoid receptor
Cannabinoid receptor 1
Cannabinoid receptor 2

(-)-(6aR-trans)-6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
(-)-delta8-THC6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
(6aR,10aR)-6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
6,6,9-Trimethyl-3-pentyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
CHEMBL267227
delta 8-tetrahydrocannobinol

BDBM50071173

27 Ki

CHRM4
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
Muscarinic acetylcholine receptor M5

(3R,4R,4aS,8aR)-4-[(E)-2-((2S,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
CHEMBL59421
HIMBACINE

BDBM50079043

27 Ki

Carbonic Anhydrase IV
Carbonic anhydrase
Carbonic anhydrase 1
Carbonic anhydrase 2
Carbonic anhydrase 4

4-Amino-5,6-dichloro-benzene-1,3-disulfonic acid diamide
4-amino-5,6-dichlorobenzene-1,3-disulfonamide
BDBM50222601
CHEMBL269628

BDBM50080398

25 Ki 1 IC50 1 EC50

Adenosine A1 receptor
Adenosine A2 receptor
Adenosine A2a receptor
Adenosine Receptors A2a (A2a)
Adenosine receptor
Adenosine receptor A1
Adenosine receptor A2a
Adenosine receptor A2a and A3
Adenosine receptor A3

(2R,3S,4R,5R)-2-Hydroxymethyl-5-[6-((S)-1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
CHEMBL420705
N6-[(S)-1-Methyl-2-phenylethyl]ado (S-PIA)

BDBM50098305

8 IC50 19 Kd

ATPase family AAA domain-containing protein 2
Bromodomain adjacent to zinc finger domain protein 2A
Bromodomain adjacent to zinc finger domain protein 2B
Bromodomain testis-specific protein
Bromodomain-containing protein 2
Bromodomain-containing protein 3
Bromodomain-containing protein 4
Bromodomain-containing protein 7
Bromodomain-containing protein 8
Bromodomain-containing protein 9
Histone acetyltransferase KAT2A
Histone acetyltransferase PCAF
Nucleosome-remodeling factor subunit BPTF
Peregrin
Protein polybromo-1
Transcription initiation factor TFIID subunit 1
Tyrosine-protein kinase BAZ1B

CHEMBL3590405

BDBM50104694

27 IC50

Dual specificity phosphatase Cdc25B
Dual specificity protein phosphatase (VHR)
Heparanase
Low molecular weight phosphotyrosine protein phosphatase
Protein-tyrosine phosphatase 1B
Tyrosine-protein phosphatase non-receptor type 2

(R)-4-hydroxy-5-(hydroxymethyl)-3-palmitoylfuran-2(5H)-one
(R)-5-Ethyl-3-hexadecanoyl-4-methyl-5H-furan-2-oneo
3-Hexadecanoyl-4-hydroxy-5-hydroxymethyl-5H-furan-2-one
CHEMBL108441
RK-682

BDBM50112179

14 Ki 13 IC50

Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Melanin-concentrating hormone receptor 2/HERG
Neurokinin 1 receptor
Neurokinin 2 receptor
Neurokinin 3 receptor
Neuromedin-K receptor
Neuromedin-K receptor (NK-3 receptor)
Potassium voltage-gated channel subfamily H member 2
hnk-3

CHEMBL3608740
US10030025, Compound 20
US10836768, Cpd no 20
US9422299, 20
US9987274, Compound 20

BDBM50112244

14 Ki 13 IC50

Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Melanin-concentrating hormone receptor 2/HERG
Neurokinin 1 receptor
Neurokinin 2 receptor
Neurokinin 3 receptor
Neuromedin-K receptor
Neuromedin-K receptor (NK-3 receptor)
Potassium voltage-gated channel subfamily H member 2
hnk-3

CHEMBL3608680
US10030025, Compound 5
US10836768, Cpd no 5
US9422299, 5
US9987274, Compound 5

BDBM50112245

14 Ki 13 IC50

Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Melanin-concentrating hormone receptor 2/HERG
Neurokinin 1 receptor
Neurokinin 2 receptor
Neurokinin 3 receptor
Neuromedin-K receptor
Neuromedin-K receptor (NK-3 receptor)
Potassium voltage-gated channel subfamily H member 2
hnk-3

CHEMBL3608741
US10030025, Compound 11
US10836768, Cpd no 11
US9422299, 11
US9987274, Compound 11

BDBM50118703

17 Ki 10 EC50

Adrenergic alpha1B
Adrenergic receptor alpha
Alpha adrenergic receptor 1A and 1B
Alpha adrenergic receptor 1A and 1D
Alpha-1A adrenergic receptor
Alpha-1D adrenergic receptor
Alpha-2A adrenergic receptor
Cerebral cortex alpha adrenergic receptor
adrenergic Alpha1

CHEMBL109783
N-[5-(4,5-Dihydro-1H-imidazol-2-yl)-2-hydroxy-5,6,7,8-tetrahydro-naphthalen-1-yl]-methanesulfonamide

BDBM50129793

23 Ki 3 IC50 1 Kd

Beta amyloid A4 protein
Tau

2-(4''-methylaminophenyl)-6-hydroxybenzothiazole
2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol
2-(4-Methylamino-phenyl)-benzothiazol-6-ol
4-methylamino-phenyl)-benzothiazol-6-ol
6-Hydroxy-2-(4''-N-methylaminophenyl)-1,3-benzothiazole
CHEMBL1788111
CHEMBL93124
N-methyl-2-(4''-methylaminophenyl)-6-hydroxybenzothiazole
N-methyl-[11C]2-(40-methylaminophenyl)-6-hydroxy benzothiazole
[3H]2-(4-(methylamino)phenyl)benzo[d]thiazol-6-ol

BDBM50148781

27 IC50

NAD-Dependent Deacetylase Sirtuin-1
NAD-dependent deacetylase sirtuin 1
NAD-dependent deacetylase sirtuin 2
NAD-dependent deacetylase sirtuin 3
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)
NAD-dependent protein deacylase sirtuin-5, mitochondrial
Sirtuin-6 (SIRT6)

CHEMBL3770903

BDBM50150484

7 Ki 17 IC50 2 Kd 1 EC50

Bcl-2-like protein 11
Coagulation factor VII/tissue factor
Cyclooxygenase
Cytochrome P450 19A1
DNA topoisomerase I (Topo I)
Fatty acid-binding protein 4 (FABP4)
Fatty acid-binding protein 5 (FABP5)
Fatty-acid amide hydrolase 1
Lipoxygenase-1
Liver fatty acid binding protein (human L-FABP T94T)
Liver fatty acid binding protein (rat L-FABP)
Peroxisome proliferator-activated receptor
Prostaglandin G/H synthase (Cyclooxygenase-2)
Protein-tyrosine phosphatase 1B
Sterol O-acyltransferase 1
Sterol O-acyltransferase, Soat
Trypsin
Vanilloid receptor

(Z)-9-octadecenoic acid
(Z)-Octadec-9-enoic acid
CHEMBL8659
OLEATE
Octadec-9-enoic acid
oleaic acid
oleicacid

BDBM50150998

8 IC50 19 EC50

Peroxisome proliferator-activated receptor
Peroxisome proliferator-activated receptor alpha (PPAR alpha)

((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-ethoxy]-benzyl}-amino)-acetic acid
2-[(4-methoxyphenoxycarbonyl)({3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid
2-[(4-methoxyphenoxycarbonyl)({4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl}methyl)amino]acetic acid
CHEMBL186179
MURAGLITAZAR
MURAGLITAZAR CHLORIDE
[C14]-2-((4-methoxyphenoxy)carbonyl)acetic acid

BDBM50154846

12 Ki 15 IC50

1,3-beta-glucan synthase component GLS2
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
D(2) dopamine receptor
D(3) dopamine receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M3

CHEMBL3774769
US10273244, Example 192
US10584135, Example 192

BDBM50163859

15 Kd 6 Koff 6 Kon

Carbonic anhydrase 1
Carbonic anhydrase 12
Carbonic anhydrase 13 (CA XIII)
Carbonic anhydrase 2
Carbonic anhydrase 7
Carbonic anhydrase 9

CHEMBL3797835
carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 12

BDBM50176259

8 Ki 17 IC50 2 EC50

Adrenergic Alpha
Delta-type opioid receptor
Kappa-type opioid receptor
Mu-type opioid receptor
Sodium-dependent noradrenaline transporter
Sodium-dependent serotonin transporter
Solute carrier family 22 member 1

(1R,2R)-2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexanol
CHEMBL201531
TRAMADOL

BDBM50183273

27 IC50

Human immunodeficiency virus type 1 integrase
Integrase
Reverse transcriptase

(S)-6-(3-chloro-2-fluorobenzyl)-1-(1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6-(3-Chloro-2-fluorobenzyl)-1-((2S)-1-hydroxy-3-methylbutan-2-yl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
6-(3-chloro-2-fluorobenzyl)-1-[(1S)-1-(hydroxymethyl)-2-methylpropyl]-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CHEMBL204656
ELVITEGRAVIR

BDBM50189603

27 IC50

CaM kinase II
Cyclin-dependent kinase 2
Dual specificity mitogen-activated protein kinase kinase 1
Epidermal growth factor receptor
Fibroblast growth factor receptor 1
Glycogen synthase kinase-3
Insulin-like growth factor I receptor
MAP kinase p38
MAP kinase-activated protein kinase 2
Mast/stem cell growth factor receptor Kit
Platelet-derived growth factor receptor beta
Potassium voltage-gated channel subfamily H member 2
Protein kinase C (PKC)
Protein kinase C alpha type
Protein kinase C delta type
Protein kinase C, eta
Proto-oncogene tyrosine-protein kinase Src
Receptor tyrosine-protein kinase erbB-2
Serine/threonine-protein kinase AKT
Serine/threonine-protein kinase SRPK1
Tyrosine-protein kinase ITK/TSK
Tyrosine-protein kinase JAK3
Tyrosine-protein kinase Lck
Tyrosine-protein kinase SYK
Vascular endothelial growth factor receptor 1
Vascular endothelial growth factor receptor 2

CHEMBL377734
N-cyclopropyl-2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5-yl)methylamino)benzamide

BDBM50193145

1 Ki 22 IC50 3 Kd 1 EC50

Alpha-ketoglutarate-dependent dioxygenase FTO
D(2) dopamine receptor
Egl nine homolog 1
Gamma-butyrobetaine dioxygenase
Histone Lysine Demethylase
Homo sapiens lysine demethylase 2A (KDM2A)
Jumonji domain-containing protein 2A (JMJD2A)
Jumonji domain-containing protein 2C (JMJD2C)
Lysine-specific demethylase 3A
Lysine-specific demethylase 5C
Prolyl 4-hydroxylase

2-(1-chloro-4-hydroxyisoquinoline-3-carboxamido)acetic acid
CHEMBL426560
Isoquinoline 3
N-[(1-CHLORO-4-HYDROXYISOQUINOLIN-3-YL)CARBONYL]GLYCINE

BDBM50208827

25 IC50 1 Kd 1 EC50

Apoptotic peptidase activating factor 1
Beta lactamase
Caspase-9
Cdc25C
Dual specificity mitogen-activated protein kinase kinase 7 (MAP2K7)
Dual specificity phosphatase Cdc25A
Dual specificity phosphatase Cdc25B
Dual specificity phosphatase Cdc25C
Phospholipase A2
Replicase polyprotein 1ab
TGM2/ Cdc25
Toll-like receptor 9
cysteine protease ATG4B isoform a
large T antigen
phosphatase Cdc25
putative hexokinase HKDC1
tyrosyl-DNA phosphodiesterase 2

2,3-bis(2-hydroxyethylthio)naphthalene-1,4-dione
CHEMBL429095
N1786 (NSC95397)
NSC 95397
NSC-95397
cid_262093

BDBM50231951

2 Ki 25 IC50

Acetylcholinesterase
Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
Beta amyloid A4 protein
Beta-secretase 1
Cholinesterases
Cholinesterases; ACHE & BCHE

2,5-bis(6-((2-methoxybenzyl)(ethyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione
2,5-bis(6-(ethyl(2-methoxybenzyl)amino)hexylamino)cyclohexa-2,5-diene-1,4-dione
CHEMBL231160
memoquin

BDBM50238741

3 Ki 21 IC50 1 Kd 2 EC50

Bacterial beta-lactamase TEM
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
Bile salt export pump
Canalicular multispecific organic anion transporter 1
Canalicular multispecific organic anion transporter 2
Estrogen receptor
Multidrug resistance-associated protein 4

CHEBI:31638
FULVESTRANT
Faslodex
Fulvestrant
ICI-182780
ZD-9238

BDBM50239117

27 IC50

1,3-beta-glucan synthase component GLS2
Choline kinase alpha
Choline/ethanolamine kinase
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6
Cytochrome P450 3A
Diacylglycerol kinase beta
Diacylglycerol kinase gamma
Diacylglycerol kinase zeta
PI3-kinase class I
Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
Phosphatidylinositol 3-kinase regulatory subunit beta
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
Phosphatidylinositol 4-kinase beta
Phosphatidylinositol 5-phosphate 4-kinase type-2 alpha
Sphingosine kinase 1 (SPHK1)
Sphingosine kinase types 2 (SphK2)

CHEMBL4060768

BDBM50241179

4 Ki 22 IC50 1 EC50

Alkaline phosphatase placental type
Alkaline phosphatase, tissue-nonspecific isozyme
Bile salt export pump
Intestinal alkaline phosphatase
Intestinal alkaline phosphatase (IAP)
Phospholipase A-2-activating protein
Tissue non-specific alkaline phosphatase (TNAP)
corticotropin releasing factor-binding protein

(S)-6-phenyl-2,3,5,6-tetrahydroimidazo[2,1-b]thiazole
6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole
6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole (Levamisole)
6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole(Levamisole)
6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole(tetramisole)
CHEMBL1454
LEVAMISOLE
LEVAMISOLE HYDROCHLORIDE
TCMDC-125847
cid_68628
levamisole;6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole
tetramisole;6-Phenyl-2,3,5,6-tetrahydro-imidazo[2,1-b]thiazole

BDBM50250803

22 Ki 2 IC50 3 EC50

5-hydroxytryptamine receptor 1A
5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2B
5-hydroxytryptamine receptor 2C
5-hydroxytryptamine receptor 7
Adrenergic receptor
Alpha-1A adrenergic receptor
Alpha-2A adrenergic receptor
D(1B) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
D(4) dopamine receptor
Histamine H1 receptor
Histamine H2 receptor
Serotonin (5-HT) receptor

CHEMBL4083252

BDBM50263132

27 IC50

Aurora kinase B
Casein kinase I
Cyclin-dependent kinase 1
Hepatocyte 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
Mitogen-activated protein kinase 1
Mitogen-activated protein kinase 14
PKC alpha and beta-2
Platelet-derived growth factor receptor alpha
Protein kinase C (PKC)
Protein kinase C alpha type
Protein kinase C delta type
Protein kinase C theta type
Protein kinase C, epsilon
Protein kinase C, eta
Proto-oncogene tyrosine-protein kinase Src
Rho-associated protein kinase 1
Ribosomal protein S6 kinase alpha 1
Serine/threonine-protein kinase Chk1/2
Tyrosine-protein kinase Fyn
Tyrosine-protein kinase HCK
Tyrosine-protein kinase ITK/TSK
Tyrosine-protein kinase Lck
Tyrosine-protein kinase Lyn
Vascular endothelial growth factor receptor 2

4-(4-methyl-1H-indol-5-ylamino)-2-(3-oxo-3-(pyrrolidin-1-yl)prop-1-enyl)thieno[2,3-b]pyridine-5-carbonitrile
CHEMBL477817

BDBM50292406

1 Ki 26 IC50

Axin-1/Glycogen synthase kinase-3 beta
Cyclin-Dependent Kinase 5 (CDK5)
Cyclin-Dependent Kinase 7 (CDK7)
Cyclin-Dependent Kinase 9 (CDK9)
Dual specificity protein kinase CLK1
Dual specificity protein kinase CLK2
Dual specificity protein kinase CLK3
Dual specificity protein kinase CLK4
Dual specificity tyrosine-phosphorylation-regulated kinase 4
Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
Dual-specificity tyrosine-phosphorylation regulated kinase 1A
Dual-specificity tyrosine-phosphorylation regulated kinase 2
Dual-specificity tyrosine-phosphorylation regulated kinase 3
Dual-specificity tyrosine-regulated kinases 1B
ERK-2
Glycogen synthase kinase-3
Leukotriene B4 receptor
Serine/threonine-protein kinase pim-1

CHEMBL485053
leucettamine B

BDBM50296345

16 Ki 10 IC50 1 EC50

Beta-2 adrenergic receptor
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M2
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
Muscarinic acetylcholine receptor M5

(1R,2R,4S,5R,7S)-7-(2-hydroxy-2,2-di-thiophen-2-yl-acetoxy)-9,9-dimethyl-3-oxa-9-azonia-tricyclo[3.3.1.0*2,4*]nonane bromide
CHEMBL258622
Tiotropium Bromide

BDBM50299165

27 IC50

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-2C adrenergic receptor
Beta-1 adrenergic receptor
C-X-C chemokine receptor type 3
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
D(1A) dopamine receptor
D(2) dopamine receptor
D(3) dopamine receptor
Potassium voltage-gated channel subfamily H member 2
chemokine (C-X-C motif) receptor 3

(6aR,9R)-N9,N9-diethyl-N7-phenyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
CHEMBL584554

BDBM50299343

27 Ki

AVPR1A
AVPR1B
Oxytocin receptor
Vasopressin V1a receptor
Vasopressin V1b receptor
Vasopressin V2 Receptor
Vasopressin V2 receptor
Vasopressin receptor

(2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulfonyl)-3-(2-methoxyphenyl)-2-oxoindolin-3-yl)-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
(2S,4R)-1-[5-Chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,Ndimethyl-2-pyrrolidine carboxamide
CHEMBL582857
SR-149415
SSR149415

BDBM50315537

27 IC50

Histone acetyltransferase p300/Hypoxia-inducible factor 1-alpha
Histone-lysine N-methyltransferase E(z)
Histone-lysine N-methyltransferase EHMT1/EHMT2
Histone-lysine N-methyltransferase EHMT2
Histone-lysine N-methyltransferase SUV39H1
Histone-lysine N-methyltransferase Su(var)3-9
Histone-lysine N-methyltransferase pr-set7
Histone-lysine N-methyltransferase, H3 lysine-9 specific dim-5
Hypoxia-inducible factor 1-alpha
Protein G9a (G9a)
Thioredoxin reductase 1 (TrxR)

CHEMBL1089316
chaetocin

BDBM50318159

10 Ki 5 IC50 12 EC50

Beta-1 adrenergic receptor
Beta-2 adrenergic receptor
D(2) dopamine receptor
D(3) dopamine receptor
Muscarinic acetylcholine receptor M3

8-Hydroxy-5-[(R)-1-hydroxy-2-(5,6-diethylindan-2-ylamino)-ethyl]-1H-quinolin-2-one
CHEMBL1095777
INDACATEROL

BDBM50326056

3 Ki 24 IC50

Cathepsin B
Cathepsin F
Cathepsin K
Cathepsin L2
Cathepsin S
Chymase
Elastase 1
Leukocyte elastase
NS3 Protease
NS3 protease
Plasminogen
Procathepsin L
Protease NS3/Non-structural protein 4A (NS3/NS4A)
Replicase polyprotein 1ab
Trypsin-1

(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-2-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)octahydrocyclopenta[c]pyrrole-1-carboxamide
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-3-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide
(1S,3aR,6aS)-2-((S)-2-((S)-2-cyclohexyl-2-(pyrazine-6-carboxamido)acetamido)-3,3-dimethylbutanoyl)-N-((S)-1-(cyclopropylamino)-1,2-dioxohexan-3-yl)-octahydrocyclopenta[c]pyrrole-1-carboxamide
CHEMBL231813
TELAPREVIR
VX-950

BDBM50329198

27 IC50

Aurora kinase B
CaM kinase IV
Casein kinase I isoform delta
Cyclin-dependent kinase 2
Ephrin type-B receptor 4
Epidermal growth factor receptor
Hepatocyte growth factor receptor
Inhibitor of nuclear factor kappa-B kinase subunit beta
Insulin-like growth factor I receptor
Interleukin-1 receptor-associated kinase 4
Mitogen-activated protein kinase 1
Protein kinase C alpha type
RAC-alpha serine/threonine-protein kinase
Rho-associated protein kinase 2
Ribosomal protein S6 kinase alpha-3
Serine/threonine-protein kinase Chk1/2
Serine/threonine-protein kinase MST2
Serine/threonine-protein kinase Nek2
Serine/threonine-protein kinase PLK3
Testis-specific serine/threonine-protein kinase 2
Tyrosine-protein kinase JAK2
Tyrosine-protein kinase Lck
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 2

2-(ethyl((5-(6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-ylamino)isothiazol-3-yl)methyl)amino)-2-methylpropan-1-ol
2-{ethyl[(5-{[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino}isothiazol-3-yl)methyl]amino}-2-methylpropan-1-ol
CHEMBL1232515
CHEMBL1650533

BDBM50342538

4 Ki 14 IC50 9 EC50

5-hydroxytryptamine receptor 2A
5-hydroxytryptamine receptor 2B
5-hydroxytryptamine receptor 2C
5-hydroxytryptamine receptor 3A
5-hydroxytryptamine receptor 6
Cytochrome P450 1A
Cytochrome P450 2C19
Cytochrome P450 2C9
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
HTR2C
Muscarinic acetylcholine receptor M1
Muscarinic acetylcholine receptor M3
Muscarinic acetylcholine receptor M4
Muscarinic acetylcholine receptor M5
Potassium voltage-gated channel subfamily H member 2

2-benzyl-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepine
CHEMBL1770373

BDBM50379186

2 Ki 25 IC50

ALK tyrosine kinase receptor
Adenosine receptor A2a
Angiopoietin-1 receptor
Aurora kinase A/Targeting protein for Xklp2
BDNF/NT-3 growth factors receptor
Casein kinase I isoform alpha
Cytochrome P450 2C19
Cytochrome P450 2D6 (2D6)
Cytochrome P450 3A
Fibroblast growth factor receptor 1
Fibroblast growth factor receptor 3
High affinity nerve growth factor receptor
Macrophage colony-stimulating factor 1 receptor (CSF1R)
Muscarinic acetylcholine receptor M4
Nuclear receptor subfamily 2 group C member 2
Platelet-derived growth factor receptor alpha
Potassium voltage-gated channel subfamily H member 2
Proto-oncogene tyrosine-protein kinase Src
Proto-oncogene tyrosine-protein kinase receptor Ret
Serine/threonine-protein kinase CHK2
Serine/threonine-protein kinase MST2
Tyrosine-protein kinase BLK
Tyrosine-protein kinase BTK
Tyrosine-protein kinase receptor FLT3
Vascular endothelial growth factor receptor 1
Vascular endothelial growth factor receptor 2

CEP-11981
CHEMBL2010872

BDBM50389797

22 Ki 1 IC50 4 EC50

5-hydroxytryptamine receptor 2A
Adenosine A2 receptor
Adenosine A2a receptor
Adenosine Receptors A2a (A2a)
Adenosine receptor
Adenosine receptor A1
Adenosine receptor A2a
Adenosine receptor A2a and A3
Adenosine receptor A2b
Adenosine receptor A3
G protein-coupled receptor 80
Histamine H1 receptor
Sigma intracellular receptor 2
Sigma non-opioid intracellular receptor 1
Sigma-1 receptor

CHEMBL261482

BDBM50401285

27 IC50

Angiopoietin-1 receptor
Aurora kinase B
Axin-1/Glycogen synthase kinase-3 beta
Casein kinase I isoform delta
Cyclin-dependent kinase 1
Cyclin-dependent kinase 2
Dual specificity mitogen-activated protein kinase kinase 1
Epidermal growth factor receptor
Fibroblast growth factor receptor 3
Hepatocyte growth factor receptor
Inhibitor of nuclear factor kappa-B kinase subunit beta
Insulin receptor
Mast/stem cell growth factor receptor Kit
Mitogen-activated protein kinase 14
Mitogen-activated protein kinase 3
Mitogen-activated protein kinase 8
Mitogen-activated protein kinase kinase kinase 1
Platelet-derived growth factor receptor alpha
Platelet-derived growth factor receptor beta
Protein kinase C theta type
Proto-oncogene tyrosine-protein kinase Src
RAF proto-oncogene serine/threonine-protein kinase
Receptor tyrosine-protein kinase erbB-2
Serine/threonine-protein kinase B-raf
Serine/threonine-protein kinase Chk1/2
Vascular endothelial growth factor receptor 2

CHEMBL2204532

BDBM50426994

27 IC50

20S proteasome
20S proteasome chymotrypsin-like
26S proteosome
Proteasome Macropain subunit
Proteasome component C5
Proteasome subunit beta type-1/beta type-5
Proteasome subunit beta type-10
Proteasome subunit beta type-9

CHEMBL2326533

BDBM50509068

11 Ki 12 Kd 4 EC50

Histamine H3 receptor
Histamine H4 Receptor
Histamine receptor (H3 and H4)

CHEMBL4515149

BDBM50528539

11 IC50 16 Kd

BDNF/NT-3 growth factors receptor
Cereblon/BCR/ABL
Cyclin-dependent kinase
Discoidin domain-containing receptor 2
Ephrin receptor
Epithelial discoidin domain-containing receptor 1
High affinity nerve growth factor receptor
Muscle, skeletal receptor tyrosine protein kinase
NT-3 growth factor receptor

CHEMBL4553037

BDBM7478

27 IC50

Axin-1/Glycogen synthase kinase-3 beta
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 4 (CDK4)
Cyclin-dependent kinase 1
Cyclin-dependent kinase 2
Cyclin-dependent kinase 4
Cyclin-dependent-like kinase 5
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
cAMP-dependent protein kinase (PKA)

2-chloro-4-[(2-{[(1R)-1-(hydroxymethyl)-2-methylpropyl]amino}-9-isopropyl-9H-purin-6-yl)amino]benzoic acid
2-chloro-4-[(2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl)amino]benzoic acid
CHEMBL23254
Purvalanol B

BDBM81462