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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
55 Ki 16 IC50
  • Acetylcholinesterase
  • Aldose reductase (AR)
  • Beta-secretase 1
  • Bile salt export pump
  • Carbonic Anhydrase III
  • Carbonic Anhydrase VA
  • Carbonic Anhydrase VB
  • Carbonic Anhydrase XIII
  • Carbonic Anhydrase XIV
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 15
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 6 (CA-VI)
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Dihydroorotate dehydrogenase (fumarate)
  • Exportin-1
  • Glyceraldehyde-3-phosphate dehydrogenase liver
  • Glyceraldehyde-3-phosphate dehydrogenase, glycosomal
  • Monoamine Oxidase Type B (MAO-B)
  • Monoamine oxidase
  • Sorbitol dehydrogenase
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Uridine-5'-diphosphoglucuronosyltransferase 1A4
  • Uridine-5'-diphosphoglucuronosyltransferase 1A6
  • Uridine-5'-diphosphoglucuronosyltransferase 2B10
  • Uridine-5'-diphosphoglucuronosyltransferase 2B7
  • Zn finger protein
  • 2H-chromen-2-one
  • CHEMBL6466
  • Coumarin
11 Ki 41 IC50 19 EC50
  • 3',5'-cyclic phosphodiesterase
  • Alkaline phosphatase placental-like
  • Alkaline phosphatase tissue-nonspecific
  • Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C
  • G protein-coupled receptor GPR35
  • G-protein coupled receptor 35
  • Heart phosphodiesterase
  • Homo sapiens phosphodiesterase 2A (PDE2A)
  • Phosphodiesterase 1
  • Phosphodiesterase 11A (PDE11A)
  • Phosphodiesterase 2A
  • Phosphodiesterase 3
  • Phosphodiesterase 3A
  • Phosphodiesterase 4A
  • Phosphodiesterase 5A
  • Phosphodiesterase 6
  • Phosphodiesterase 9A
  • cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4A
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4B
  • cAMP-specific 3',5'-cyclic phosphodiesterase 4D
  • cGMP-specific 3',5'-cyclic phosphodiesterase
  • 3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0]nona-1,3,6-trien-5-one
  • 5-(2-propoxyphenyl)-2H,3H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
  • Tocris-0947
  • ZAPRINAST
  • Zaprinast
7 Ki 52 IC50 10 Kd 2 EC50
  • 14-alpha sterol demethylase
  • 14-alpha sterol demethylase Cyp51A
  • Alpha-chymotrypsin
  • Beta-2 adrenergic receptor
  • Beta-lactamase AmpC
  • Bile acid receptor
  • Bile salt export pump
  • C-C chemokine receptor type 4 (CCR4)
  • C-X-C chemokine receptor type 1
  • Calcium channel (Type L)
  • Cytochrome P450 121
  • Cytochrome P450 125 (CYP125)
  • Cytochrome P450 130
  • Cytochrome P450 130 (G243A)
  • Cytochrome P450 142 (CYP142)
  • Cytochrome P450 144 (CYP144)
  • Cytochrome P450 17A1
  • Cytochrome P450 19A1
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Heme Oxygenase 1 (HO-1)
  • Heme Oxygenase 2 (HO-2)
  • Histidine-rich protein
  • Indoleamine 2,3-dioxygenase 1
  • Indoleamine 2,3-dioxygenase 2
  • Intermediate conductance calcium-activated potassium channel protein 4
  • Lanosterol 14-alpha demethylase
  • Malate dehydrogenase cytoplasmic
  • Nuclear receptor subfamily 1 group I member 3
  • P-glycoprotein (P-gp)
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Potassium voltage-gated channel subfamily H member 2
  • Potassium-transporting ATPase
  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase
  • Solute carrier family 22 member 1
  • Sterol 14α-demethylase (CYP51)
  • Transitional endoplasmic reticulum ATPase
  • Vasopressin V2 receptor
  • Voltage-dependent L-type calcium channel subunit alpha-1C
  • Voltage-gated potassium channel
  • streptokinase A precursor
  • CHEMBL104
  • Canesten
  • Clotrimazole
  • Lotrimin
  • Mycelex
  • US9138393, Clotrimazole
  • cid_2812
70 Ki 1 IC50
  • PKC alpha and beta-2
  • Protein kinase C (PKC)
  • Protein kinase C alpha type
  • Protein kinase C delta
  • Protein kinase C delta type
  • Protein kinase C theta type
  • Protein kinase C, PKC; classical/novel
  • Protein kinase C, epsilon
  • Protein kinase C, eta
  • Protein kinase C, gamma
  • RAS guanyl releasing protein 1
  • (+/-)-indolactum-V 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one
  • (-)-indolactam V
  • (10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4(15),5,7-tetraen-11-one
  • (10S,13S)-13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one
  • (2S,5S)-5-(hydroxymethyl)-2-isopropyl-1-methyl-1,2,5,6-tetrahydro-4H-[1,4]diazonino[7,6,5-cd]indol-3(8H)-one
  • (S)-13-Hydroxymethyl-10-isopropyl-9-(S)-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one
  • 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4(15),5,7-tetraen-11-one
  • 13-Hydroxymethyl-10-isopropyl-9-methyl-3,9,12-triaza-tricyclo[6.6.1.0*4,15*]pentadeca-1,4,6,8(15)-tetraen-11-one(ILV)
  • CHEMBL27266
  • INDOLACTUM
  • indolactam-V
71 IC50
  • Gonadotropin releasing hormone 1 (GnRHR1)
  • CHEMBL436874
  • pGlu-His-Trp-Ser-His-D-Tyr-Leu-Arg-Pro-Gly-NH2
71 IC50
  • Gonadotropin releasing hormone 1 (GnRHR1)
  • (S)-N,N-diisobutyl-2-(2-(4-methoxy-3,5-dimethylphenyl)-3-(1-(phenethylamino)propan-2-yl)-1H-indol-5-yl)-2-methylpropanamide
  • CHEMBL371722
71 IC50
  • Gonadotropin releasing hormone 1 (GnRHR1)
  • CHEMBL265775
  • pGlu-His-Trp-Ser-Tyr-Gly-Leu-Arg-Pro-Gly-NH2
43 Ki 26 IC50 2 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Acetylcholinesterase
  • Adrenergic alpha1B
  • Aldose reductase
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Alpha-chymotrypsin
  • Axin-1/Glycogen synthase kinase-3 beta
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-lactamase
  • Cholinesterases
  • Cytochrome P450 3A
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • Dihydroorotate dehydrogenase (fumarate)
  • Dopamine receptor
  • EBifunctional epoxide hydrolase 2
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Genome polyprotein
  • Glutamate receptor ionotropic, NMDA 1
  • Histamine H1 receptor
  • Kappa-type opioid receptor
  • L-lactate dehydrogenase A chain
  • Lysine-specific histone demethylase 1A
  • Mitogen-activated protein kinase 14
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Neuraminidase
  • Neuromedin-U receptor 2
  • OPRD1
  • SLC6A3
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Serum albumin
  • Sialidase
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Trypsin
  • Tyrosinase
  • Vasopressin V1b receptor
  • Vasopressin V2 receptor
  • Xanthine dehydrogenase/oxidase
  • 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
  • 3-Rhamnoglucosylquercetin
  • 3-Rutinosyl quercetin
  • CHEMBL226335
  • cid_5280805
  • rutin
71 IC50
  • Acetylcholinesterase
  • Alpha-2A adrenergic receptor
  • C-X-C chemokine receptor type 4
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • Cytochrome P450 2D6
  • Cytochrome P450 3A
  • Mu-type opioid receptor
  • Muscarinic acetylcholine receptor
  • Nicotinic acetylcholine receptor alpha-1/beta-1
  • Nicotinic acetylcholine receptor alpha-1/beta-1/delta/epsilon
  • 4-((1H-1,2,4-Triazol-1-yl)methyl)-5-(4-bromophenyl)-N-(1-(4-bromophenyl)ethyl)-1-(2-chlorophenyl)-1H-pyrazole-3-carboxamide
  • CHEMBL598769
8 Ki 63 IC50
  • 3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase
  • 3-beta-hydroxysteroid dehydrogenase/delta 5-->4-isomerase type I
  • 5α-Reductase 1 (5α-R1)
  • Androgen receptor
  • Bile salt export pump
  • Bile salt export pump (BSEP)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Multidrug resistance-associated protein 4
  • Steroid 5-alpha-reductase
  • (17beta-(N-tert-butylcarbamoyl)-4-aza-5alpha-androst-1-en-3-one
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide
  • (4aR,4bS,6aS,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (4aR,6aS)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (4aR,6aS,11aR)-4a,6a-Dimethyl-2-oxo-hexadecahydro-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (4aR,6aS,7S)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (4aR,6aS,7S,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • (R)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • 4a,6a,9a-Trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid (Finasteride)
  • 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide
  • 4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid tert-butylamide(Finasteride)
  • CHEMBL710
  • FINASTERIDE
  • MK-906
  • Propecia
  • Proscar
  • US9061023, Finasteride
59 Ki 5 IC50 7 Kd
  • 5-hydroxytryptamine receptor 1A
  • Acetylcholinesterase
  • Adrenergic Alpha
  • Bile salt export pump
  • CHRM5
  • Muscarinic acetylcholine receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M1 and M3
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M2 and M4
  • Muscarinic acetylcholine receptor M2 and M5
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • ATROPEN
  • ATROPINE