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 2930 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
5 IC50
- Fibroblast growth factor receptor 4
- US10189794, Compound I-106
- US10618902, Compound I-106
- US10774052, Compound I-106
- US9695132, I-106
- US9695132, I-111
- Amine oxidase (flavin-containing) A
- Amine oxidase [flavin-containing] B
- Lysine-specific histone demethylase 1A
- US8524717, 26
5 Kd
- PKC alpha [mouse]
- PKC alpha and beta-2
- Protein kinase C alpha type
- Protein kinase C delta type
- Protein kinase C, epsilon
- Bryostatin
- Bryostatin 7
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-6
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-9
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-11
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-13
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-17
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-18
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-20
5 IC50
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- c-Jun N-terminal kinase, JNK
- US8536172, I-66
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- 2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
- Isoquinoline-1,3,4-trione 6k
- phenyl[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamoyl]methyl acetate
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- 3-Chloro-N-(1,2,3,4-tetrahydro-1,3,4-trioxoisoquinolin-6-yl)-propanamide
- 3-chloro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)propanamide
- Isoquinoline-1,3,4-trione 9k
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- 3-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)carbamoyl]propanoic acid
- Isoquinoline-1,3,4-trione 12a
- N-(1,3,4-Trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamic acid
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- 4-Oxo-4-piperidin-1-yl-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-butyramide
- 4-oxo-4-(piperidin-1-yl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanamide
- Isoquinoline-1,3,4-trione 13c
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- Isoquinoline-1,3,4-trione 13f
- N-(2-Methoxy-phenyl)-N-(1,3,4-trioxo-1,2,3,4-tetrahydro-isoquinolin-6-yl)-succinamide
- N-(2-methoxyphenyl)-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
5 IC50
- Caspase-2
- Caspase-3
- Caspase-6
- Caspase-7
- Caspase-8
- 4-nitro-N-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
- Isoquinoline-1,3,4-trione 14c
- N-(1,2,3,4-Tetrahydro-1,3,4-trioxoisoquinolin-7-yl)-4-nitrobenzamide
- 5-hydroxytryptamine receptor 6
- Potassium voltage-gated channel subfamily H member 2
- CHEMBL2172192
- US8552017, 2(7).HCl
5 IC50
- Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
- Poly [ADP-ribose] polymerase 1
- ME0354
5 IC50
- Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
- Poly [ADP-ribose] polymerase 1
- ME0355
5 IC50
- Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
- Poly [ADP-ribose] polymerase 1
- ME0327
5 IC50
- Human diphtheria toxin-like ADP-ribosyltransferase (ARTD3 or PARP3)
- Poly [ADP-ribose] polymerase 1
- ME0328
- Beta-2 adrenergic receptor
- Muscarinic acetylcholine receptor M3
- US8551978, I-31
- US8816088, I-31
- US9572802, Compound I-31
- US9682957, I-31
- Beta-2 adrenergic receptor
- Muscarinic acetylcholine receptor M3
- US8551978, I-41
- US8816088, I-41
- US9572802, Compound I-41
- US9682957, I-41
- Beta-2 adrenergic receptor
- Muscarinic acetylcholine receptor M3
- US8551978, I-53
- US8816088, I-53
- US9572802, Compound I-53
- US9682957, I-53
5 IC50
- D(2) dopamine receptor
- Homo sapiens lysine demethylase 2A (KDM2A)
- Jumonji domain-containing protein 2C (JMJD2C)
- Lysine-specific demethylase 3A
- Lysine-specific demethylase 5C
- 4HQ derivative 9
5 IC50
- Vascular adhesion protein 1 (VAP-1)
- US10399973, Example 7
- US8569338, 7
- US9035066, 7
- US9493457, 7
- US9890160, Example 7
5 IC50
- Vascular adhesion protein 1 (VAP-1)
- US10399973, Example 14
- US8569338, 14
- US9035066, 14
- US9493457, 14
- US9890160, Example 14
5 IC50
- Vascular adhesion protein 1 (VAP-1)
- US10399973, Example 17
- US8569338, 24
- US9035066, 17
- US9493457, 17
- US9890160, Example 17
- Discoidin domain-containing receptor 2
- Epithelial discoidin domain-containing receptor 1
- DDR1-IN-1
- Discoidin domain-containing receptor 2
- Epithelial discoidin domain-containing receptor 1
- DDR1-IN-2
5 IC50
- Aldo-keto reductase family member 1B10 (AKR1B10)
- Aldose reductase (AR)
- Methylated AKR1B10 K125R/V301L (AKME2MU)
- MK319
5 Ki
- HIV-1 protease
- HIV-1 protease M1
- HIV-1 protease M2
- HIV-1 protease M3
- HIV-1 protease M4
- N-[(1S,2R)-3-[(6-Benzothiazolylsulfonyl)(3-phenylpropyl)amino]-2-hydroxy-1- (phenylmethyl)propyl]-3-hydroxy-benzamide (AF-69)
5 Ki
- HIV-1 protease
- HIV-1 protease M1
- HIV-1 protease M2
- HIV-1 protease M3
- HIV-1 protease M4
- 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[[5-(5-isoxazolyl)-2-thienyl]sulfonyl][(2S)-2- methylbutyl]amino]-1-(phenylmethyl)propyl]-benzamide (AF-71)
5 Ki
- HIV-1 protease
- HIV-1 protease M1
- HIV-1 protease M2
- HIV-1 protease M3
- HIV-1 protease M4
- 3-Hydroxy-N-[(1S,2R)-2-hydroxy-3-[[(4-methoxyphenyl)sulfonyl](3-phenylpropyl)amino]- 1-(phenylmethyl)propyl]-benzamide (AF-78)
- Acetylcholinesterase
- (5S)-5-[(10-{[(5S)-2-oxo-1,2,5,6,7,8-hexahydroquinolin-5-yl]amino}decyl)amino]-1,2,5,6,7,8-hexahydroquinolin-2-one
- (S,S)-(-)-bis(10)-hupyridone
- Acetylcholinesterase
- Carboxylic ester hydrolase
- Neutrophil cytosol factor 1
- Pteridine reductase 1
- 2-methylquinolin-4-amine
- 4-Aminoquinaldine 4
5 IC50
- Ectonucleotide pyrophosphatase/phosphodiesterase family member 2
- H1N1 Endonuclease
- MAP kinase-interacting serine/threonine-protein kinase 1/2
- 4‐(1H‐imidazol‐1‐yl)phenol (Compound 1)
- 4-(1H-imidazol-1-yl)phenol
5 IC50
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Bromodomain testis-specific protein
- Bromodomain-containing protein 4
- Serine/threonine-protein kinase Aurora-C
- US9695172, 2-221
5 IC50
- Caspase-1
- Caspase-3
- Caspase-7
- Caspase-8
- (3S)-3-[(2S)-2-[(4S)-4-[(3S)-3-acetamido-3-formamidopropanoic acid]-4-formamidobutanoic acid]-3-methylbutanamido]-4-oxo-7-phenylheptanoic acid
- CHEMBL443565
- Compound 2
- PHENYL-PROPYL-KETONE INHIBITOR
5 IC50
- Caspase-1
- Caspase-3
- Caspase-7
- Caspase-8
- (3S)-5-[(2-CHLORO-6-FLUOROBENZYL)SULFANYL]-3-{[N-({2-ETHOXY-5-[(1E)-3-METHOXY-3-OXOPROP-1-ENYL]PHENYL}ACETYL)-D-VALYL]AMINO}-4-OXOPENTANOIC ACID
- (3S)-5-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-3-[(2S)-2-(1-{2-ethoxy-5-[(1E)-3-methoxy-3-oxoprop-1-en-1-yl]phenyl}acetamido)-3-methylbutanamido]-4-oxopentanoic acid
- CINNAMIC ACID METHYL ESTER INHIBITOR
- Compound 3
- valine aspartyl ketone analog 14
5 IC50
- Mast/stem cell growth factor receptor Kit
- Platelet-derived growth factor receptor alpha
- Vascular endothelial growth factor receptor 2
- US8586600, III-6
- Trace amine-associated receptor 1 (TAAR1)
- trace amine-associated receptor 1
- CHEMBL2206404
- US8586617, 7
- Trace amine-associated receptor 1 (TAAR1)
- trace amine-associated receptor 1
- CHEMBL2206890
- US8586617, 23
- Trace amine-associated receptor 1 (TAAR1)
- trace amine-associated receptor 1
- CHEMBL2206381
- US8586617, 25
- Trace amine-associated receptor 1 (TAAR1)
- trace amine-associated receptor 1
- CHEMBL2206375
- US8586617, 28
- Trace amine-associated receptor 1 (TAAR1)
- trace amine-associated receptor 1
- CHEMBL2206388
- US8586617, 113
5 IC50
- 5-hydroxytryptamine 1D receptor (5HT1D)
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- CHEMBL1957356
- US8586620, 64
5 IC50
- 5-hydroxytryptamine 1D receptor (5HT1D)
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- CHEMBL1957358
- US8586620, 67
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1957357
- US8586620, 75
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Sodium-dependent noradrenaline transporter
- CHEMBL2036265
- US8586620, 100
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823362
- US8586620, 66
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823363
- US8586620, 136
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823366
- US8586620, 139
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823371
- US8586620, 157
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823376
- US8586620, 167
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823375
- US8586620, 168
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823377
- US8586620, 182
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823374
- US8586620, 183
5 IC50
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- CHEMBL1823378
- US8586620, 184
- Cannabinoid receptor 1
- Cannabinoid receptor 2
- Xanthine dehydrogenase
- 2‐(4‐methoxyphenyl)‐1‐[(4‐methoxyphenyl)methyl]‐ 1,3‐benzodiazole (B14)
5 IC50
- 12-Lipoxygenase (12-LOX)
- 15-Lipoxygenase-2 (15-LOX-2)
- Arachidonate 15-lipoxygenase
- Arachidonate 5-lipoxygenase
- 6,7‐dihydroxy‐3‐(4‐nitrophenyl)‐4H‐chromen‐4‐one
- 6,7-Dihydroxy-4′-nitroisoflavone (1b)
- IR-6
5 IC50
- Cytochrome P450 1A
- Metabotropic glutamate receptor
- Metabotropic glutamate receptor 5
- US8598345, 200
- US8598345, Table 1-30/2-4
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 13
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 14
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 16
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 17
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 19
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 20
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8592410, 12
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 14
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 26
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 52
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 54
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 58
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 61
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 62
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 64
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 65
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 66
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 67
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 68
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 69
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 70
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 72
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 75
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 88
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 3
5 IC50
- 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
- US8575157, 4