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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
1 Ki 67 IC50
  • C-C chemokine receptor type 1
  • Gag-Pol polyprotein
  • Human immunodeficiency virus type 1 integrase
  • Human immunodeficiency virus type 1 reverse transcriptase
  • Integrase
  • Potassium voltage-gated channel subfamily H member 2
  • Reverse transcriptase
  • Sodium channel protein type 5 subunit alpha
  • Uridine-5'-diphosphoglucuronosyltransferase 1A1
  • Voltage-gated L-type calcium channel
  • Voltage-gated potassium channel beta subunit Mink/subunit Kv7.1
  • Voltage-gated potassium channel subunit Kv4.3
  • N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
  • Raltegravir
29 Ki 25 IC50 14 EC50
  • Adenosine receptor
  • BHE
  • Mas-related G protein-coupled receptor X2 (MRGPRX2)
  • Neurokinin 1 receptor
  • Neurokinin 2 receptor
  • Neurokinin 3 receptor
  • Neuromedin-K receptor
  • Prothrombin
  • Substance K
  • Substance P
  • TACR2
  • TACR3
  • (SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
  • Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met NH2
  • Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2
  • Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P)
  • Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2.(Substance P)
  • Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-amine
  • ArgProLysProGlnGlnPhePheGlyLeuMet
  • CHEMBL235363
  • H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-D-Phe-Gly-Leu-Met-NH2
  • H-Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH2(Substance P)
  • Substance P
  • Substance P (Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-MetNH2)
  • Substance P analogue
  • tachykinin substance P (SP)
26 Ki 41 IC50 1 Kd
  • Bile salt export pump
  • CCKBR
  • Cholecystokinin
  • Cholecystokinin A receptor
  • Cholecystokinin B
  • Cholecystokinin receptor
  • GABA A Benzodiazepine
  • Opioid receptor
  • (R)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O
  • (S)-1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
  • (S)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide
  • (Z)-N-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-1H-indole-2-carboxamide
  • 1H-Indole-2-carboxylic acid ((S)-1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (L-364,718 ((S)-devazepide)
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide (MK-329, L-364,718)
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(Devazepide or (R) L364718)
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(L-364718)
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide(devazepide)
  • 1H-Indole-2-carboxylic acid (1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-amide: 0.1C4H10O. 0.15CH2Cl2
  • CCK antagonist synthetic 17
  • CCK antagonist synthetic 18
  • CHEMBL9506
  • DEVAZEPIDE
  • L-364,718
  • L-364718
  • MK-329
65 Ki 3 IC50
  • 5-HT5
  • 5-HT5B
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 1D
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 7 (5HT7)
  • Adenylate cyclase
  • Alpha-1A adrenergic receptor
  • Beta-2 adrenergic receptor
  • Cholecystokinin receptor
  • D(2) dopamine receptor
  • DRD1
  • HTR1D
  • HTR1E
  • HTR1F
  • HTR5A
  • HTR6
  • HTR7
  • P-glycoprotein 1
  • P-glycoprotein 1 and 3 (MDR1a/MDR1b)
  • Serotonin (5-HT) receptor
  • Serotonin 1B/1D receptor
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • adrenergic Alpha2
  • (5'alpha)-12'-hydroxy-2'-methyl-5'-(phenylmethyl)ergotoman-3',6',18-trione
  • (5'alpha)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman
  • 12'-hydroxy-2'-methyl-5'alpha-(phenylmethyl)ergotaman-3',6',18-trione
  • ERGOTAMINE
  • Ergotamin
18 Ki 25 IC50 1 Kd 24 EC50
  • 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
  • Aldo-keto reductase family 1 member C1
  • Aldo-keto reductase family 1 member C2
  • Aldo-keto-reductase family 1 member C3
  • Androgen Receptor
  • Androgen receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Glucocorticoid receptor
  • Mineralocorticoid receptor
  • Multidrug resistance-associated protein 4
  • Progesterone receptor
  • Testis-specific androgen-binding protein
  • (6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione
  • (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate
  • 17-Acetoxy-6alpha-methylprogesterone
  • 17alpha-Hydroxy-6alpha-methylprogesterone acetate
  • 6-alpha-Methyl-17-alpha-acetoxyprogesterone
  • 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate
  • 6alpha-Methyl-17-acetoxy progesterone
  • 6alpha-Methyl-17alpha-hydroxyprogesterone acetate
  • 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate
  • MEDROXYPROGESTERONE
  • Medroxyacetate progesterone
  • Medroxyprogesterone 17-acetate
  • Methylacetoxyprogesterone
  • Metigestrona
  • US9271961, MPA
  • medroxyprogesterone acetate
11 Ki 57 IC50
  • 1,3-beta-glucan synthase component GLS2
  • CDK2/CycE
  • CDK4/CDK1
  • CDK4/Cyclin D3
  • CDK6/CycD3
  • CDK6/cyclin D1
  • CDK7/Cyclin H/MNAT1
  • CaM kinase I alpha
  • 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-K
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 1/ G1/S-specific cyclin-D3
  • Cyclin-dependent kinase 2
  • Cyclin-dependent kinase 4
  • Cyclin-dependent kinase 4/G1/S-specific cyclin-E1
  • Cyclin-dependent kinase 6
  • Cyclin-dependent kinase 7
  • Cyclin-dependent kinase 9
  • Cyclin-dependent-like kinase 5
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Homeodomain-interacting protein kinase 1
  • Protein cereblon/Cyclin-dependent kinase 2
  • Replicase polyprotein 1ab
  • Serine/threonine-protein kinase pim-1
  • ABEMACICLIB
  • Abemaciclib
  • LY-2835219
  • US10662186, Compound LY2835219
  • US10696678, Example LY2835219
22 Ki 6 IC50 2 Kd 38 EC50
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Multidrug resistance-associated protein 4
  • Oxytocin receptor
  • Vasopressin V1a receptor
  • Vasopressin V1b receptor
  • Vasopressin V2 Receptor
  • Vasopressin V2 receptor
  • Vasopressin receptor
  • CHEMBL395429
  • OXYTOCIN