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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
36 IC50
  • Acetylcholinesterase
  • Cholinesterases
  • Cholinesterases; ACHE & BCHE
  • 7-chloro-15-methyl-10-azatetracyclo[11.3.1.0^{2,11}.0^{4,9}]heptadeca-2,4(9),5,7,10,14-hexaen-3-amine
  • CHEMBL140476
  • Huprine Y.HCl
  • US9238626, (+/-)-Huprine Y HCl
12 Ki 23 IC50 1 Kd
  • 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
  • Cytochrome P450 19A1
  • Steryl-sulfatase
  • 6-oxo-6,7,8,9,10,11-hexahydrocyclohepta[c]chromen-3-yl sulfamate
  • 667-COUMATE
  • 667COUMATE
  • BN83495
  • CHEMBL286738
  • CMT
  • STX64
  • {9-oxo-8-oxatricyclo[8.5.0.0^{2,7}]pentadeca-1(10),2(7),3,5-tetraen-5-yl} sulfamate
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 36
  • US8969352, 36
  • US8969352, 7
  • US9611277, Example 36
  • US9845333, 36
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 28
  • US8969352, 28
  • US8969352, 9
  • US9611277, Example 28
  • US9845333, 28
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 43
  • US8969352, 14
  • US8969352, 43
  • US9611277, Example 43
  • US9845333, 43
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 35
  • US8969352, 16
  • US8969352, 35
  • US9611277, Example 35
  • US9845333, 35
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 46
  • US8969352, 18
  • US8969352, 46
  • US9611277, Example 46
  • US9845333, 46
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • Orexin receptor type 2 (OX2)
  • US10183953, Example 26
  • US8969352, 20
  • US8969352, 26
  • US8969352, 27
  • US9611277, Example 26
  • US9845333, 26
36 Ki
  • Orexin receptor type 1
  • Orexin receptor type 1 (OX1)
  • Orexin receptor type 2
  • US9062078, 4
  • US9062078, 5A
  • US9062078, 5B
  • US9062078, 6
  • US9475819, 4
  • US9637496, 6
  • US9695183, 6
1 Ki 35 IC50
  • Dihydrofolate Reductase (DHFR)
  • Dihydrofolate reductase
  • Dihydrofolate reductase (DHFR)
  • Thymidylate Synthase (TS)
  • Thymidylate synthase
  • (2S)-2-[(5-{methyl[(2-methyl-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}thiophen-2-yl)formamido]pentanedioic acid
  • CHEMBL225071
  • RTX
  • Raltitrexed
  • Tomudex
  • ZD1694
1 Ki 35 IC50
  • Catalytic domain 2 (zCD2)
  • Cereblon/Histone deacetylase 1
  • Cereblon/Histone deacetylase 2
  • Cereblon/Histone deacetylase 4
  • Cereblon/Histone deacetylase 6
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
  • Histone deacetylase 4
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 8
  • Histone deacetylase 9
  • HPOB
34 IC50 2 Kd
  • Aurora kinase A/Targeting protein for Xklp2
  • Cyclin-dependent kinase 1
  • Cyclin-dependent kinase 2
  • Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
  • Ephrin type-A receptor 2
  • Epidermal growth factor receptor
  • Epithelial discoidin domain-containing receptor 1
  • Fibroblast growth factor receptor 2
  • Focal adhesion kinase 1
  • Hepatocyte growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Interleukin-1 receptor-associated kinase 4
  • Leukocyte tyrosine kinase receptor
  • Macrophage-stimulating protein receptor
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 14
  • Mitogen-activated protein kinase kinase kinase 7
  • PKC alpha and beta-2
  • Protein kinase C iota type/zeta type
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase BRK
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase Yes
  • Tyrosine-protein kinase receptor FLT3
  • Tyrosine-protein kinase receptor UFO
  • Vascular endothelial growth factor receptor 2
  • US9255110, 17
5 Ki 26 IC50 1 Kd 4 EC50
  • Bile acid receptor
  • Bile salt export pump
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Cytochrome P450 1A
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Cytochrome P450 2C9
  • Cytochrome P450 2D6 (2D6)
  • Cytochrome P450 3A
  • Histamine H1 receptor
  • Histamine H4 receptor
  • Multidrug resistance-associated protein 4
  • Nuclear receptor subfamily 1 group I member 2
  • P-glycoprotein 1
  • Platelet activating factor receptor
  • Potassium channel subfamily K member 9
  • Potassium voltage-gated channel subfamily H member 2
  • Sodium-dependent neutral amino acid transporter B(0)AT2
  • Voltage-gated L-type calcium channel
  • CHEMBL998
  • Claritin
  • Loratadine
  • Sch 29851
  • US9138431, LORATADINE (Claritin)
  • US9333199, LORATADINE (Claritin)
  • ethyl 4-{13-chloro-4-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene}piperidine-1-carboxylate
6 Ki 29 IC50 1 Kd
  • 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 C4 (AK1C4)
  • Aldo-keto-reductase family 1 member C3
  • Arachidonate 5-lipoxygenase
  • Bile salt export pump
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Cyclooxygenase-2 (COX-2)
  • Intestinal fatty acid-binding protein (hIFABP)
  • Liver fatty acid binding protein (rat L-FABP)
  • Prostaglandin G/H synthase (cyclooxygenase)
  • Transcription factor SOX-18 (SOX-18)
  • Transthyretin
  • 2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid
  • CHEMBL509
  • Meclofenamate
  • Meclofenamic acid
2 IC50 11 Kd 1 EC50 11 Koff 11 Kon
  • RNA polymerase (NS5B)
  • RNA-directed RNA polymerase (NS5B)
  • RNA-directed RNA polymerase (NS5B)(C316Y)
  • RNA-directed RNA polymerase (NS5B)(L392I)
  • RNA-directed RNA polymerase (NS5B)(M414T)
  • RNA-directed RNA polymerase (NS5B)(M423T)
  • RNA-directed RNA polymerase (NS5B)(P495L)
  • RNA-directed RNA polymerase (NS5B)(S282T)
  • RNA-directed RNA polymerase (NS5B)(V494A)
  • Serine protease NS3/ RNA-directed RNA polymerase NS5B (NS3-NS5B)
  • US9427440, 1
36 IC50
  • Fibroblast growth factor 4
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 2
  • Fibroblast growth factor receptor 3
  • Fibroblast growth factor receptor 4
  • US10537571, Compound 108
  • US10562888, Compound 108
  • US10654836, The compound of example 108 of WO2015057938
  • US9434697, 108
  • US9730931, Compound 108
36 IC50
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • GST-Lysine-specific histone demethylase 1A (LSD1)
  • Lysine-specific histone demethylase 1A
  • BDBM256647
  • US10053456, 26
  • US10414761, Example 26
  • US9487511, 2
  • US9718814, 26
  • US9920047, 26
36 IC50
  • Amine oxidase (flavin-containing) A
  • Amine oxidase [flavin-containing] B
  • GST-Lysine-specific histone demethylase 1A (LSD1)
  • Lysine-specific histone demethylase 1A
  • BDBM256662
  • US10053456, 41
  • US10414761, Example 41
  • US9487511, 40
  • US9718814, 41
  • US9920047, 41
35 IC50 1 EC50
  • 3-phosphoinositide dependent protein kinase-1
  • Angiopoietin-1 receptor
  • Cyclin-dependent kinase 2
  • Dual specificity mitogen-activated protein kinase kinase; MEK1/2
  • Fibroblast growth factor receptor
  • Fibroblast growth factor receptor 2
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • MAP kinase p38
  • Mitogen-activated protein kinase; ERK1/ERK2
  • Non-receptor tyrosine-protein kinase TYK2
  • PDGFR-beta/Platelet-derived growth factor receptor alpha
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase Src
  • RAC-alpha serine/threonine-protein kinase
  • RAF proto-oncogene serine/threonine-protein kinase
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase JAK3
  • Tyrosine-protein kinase Lck
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • 4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11.4.0.0^{2,6}.0^{7,12}]heptadeca-1(13),2(6),3,7(12),8,14,16-heptaen-11-one
  • CHEMBL21156
  • Compound # 2
  • Jak Inhibitor 1
  • PDK1 inhibitor, 1
  • Tetracyclic Pyridone, 1
35 Ki 1 EC50
  • GABA A Alpha2Beta1Gamma2
  • GABA A Alpha4Beta2Gamma2
  • GABA A receptor alpha-3/beta-2/gamma-2
  • GABA A receptor alpha-6/beta-2/gamma-2
  • GABA receptor alpha-1/beta-3/gamma-2 subunit
  • GABA receptor alpha-2/beta-2/gamma-2 subunit
  • GABA receptor alpha-2/beta-3/gamma-2 subunit
  • GABA receptor alpha-3/beta-2/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
  • GABA-A receptor; alpha-1/beta-2/gamma-2
  • GABAA Receptor, alpha-4, beta-2, gamma-2
  • GABAA Receptor, alpha-6, beta-2, gamma-2
  • Gamma-aminobutyric acid receptor (GABA(A)) subunit alpha-4
  • Gamma-aminobutyric acid receptor subunit alpha-1
  • Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))
  • RO-154513
  • Ro15-4513
  • [3H]Ro15-4513
  • ethyl 12-azido-8-methyl-9-oxo-2,4,8-triazatricyclo[8.4.0.0^{2,6}]tetradeca-1(10),3,5,11,13-pentaene-5-carboxylate
22 Ki 12 IC50 2 EC50
  • β-Carbonic anhydrase 2 (CA 2)
  • β-Carbonic anhydrase 3 (CA 3)
  • Aldo-keto reductase family member 1B10 (AKR1B10)
  • Aldose reductase
  • Aldose reductase (AR)
  • Alpha-glucosidase MAL12
  • Alpha-glucosidase MAL62
  • Baculoviral IAP repeat-containing protein 2/Estrogen receptor
  • 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
  • Epidermal growth factor receptor
  • Estrogen receptor
  • Hydroxycarboxylic acid receptor 2
  • Protein tyrosine phosphatase 1B (PTP1B)
  • Tyrosinase
  • Xanthine dehydrogenase
  • (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid
  • (2E)-3-(4-hydroxyphenyl)prop-2-enoic acid (8)
  • CHEMBL66879
  • p-Coumaric Acid
  • p-Hydroxycinnamic acid (p-HCA)
  • p-hydroxycinnamic acid
  • p-hydroxycinnamic acid (M4)
31 IC50 4 Kd 1 EC50
  • ITGA5/ITGB1
  • ITGAV/ITGB3
  • Integrin alpha-2/beta-3
  • Integrin alpha-IIb/beta-3
  • (2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid
  • N-(Butylsulfonyl)-O-(4-(4-piperidyl)butyl)-L-tyrosine
  • N-(butylsulfonyl)-O-(4-piperidin-4-ylbutyl)-L-tyrosine
  • tirofiban
36 IC50
  • Dopamine receptor
  • Monoamine transporters; Norepininephrine & dopamine
  • Norepinephrine Monoamine transporters
  • Sodium-dependent dopamine transporter
  • Sodium-dependent serotonin transporter
  • (+) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • (+)(cis) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • (-) (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • (-)(cis) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • (cis) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • (trans) 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine; Dihydrochloride
  • 1-[3-(3,4-Dichloro-phenyl)-indan-1-yl]-4-methyl-piperazine
  • CHEMBL54177
2 Ki 34 IC50
  • Bile salt export pump
  • C-C chemokine receptor type 2
  • C-X-C chemokine receptor type 4
  • C-X-C chemokine receptor type 4 (CXCR4)
  • C-X-C chemokine receptor type 4 (CXCR4/SDF-1)
  • Canalicular multispecific organic anion transporter 1
  • Canalicular multispecific organic anion transporter 2
  • Multidrug resistance-associated protein 4
  • 1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-tetraaza-cyclotetradecane}
  • 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane
  • 1,4,8,11-tetraazacyclotetradecanyl[4-(1,4,8,11-tetraazacyclotetradecanylmethyl)phenyl]methane(8HBr.2H2O)
  • 1,4-bis((1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene
  • 11''-xylyl bis-1,4,8,11-tetraazacyclotetradecane
  • 11-{4-[4,8, 11-1,4,8,11tetraaza-cyclotetradec-1-ylmethyl]-benzyl}-1,4,8,11tetraaza-cyclotetradecane-1,4,8-tricarboxylic acid tri-tert-butyl ester
  • AMD-3100
  • CHEMBL18442
  • CHEMBL2311089
  • PLERIXAFOR
  • PLERIXAFOR OCTAHYDROCHLORIDE
  • US9205085, MSX-162
11 Ki 25 IC50
  • 17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
  • Acid-sensing ion channel 1
  • Aldo-keto reductase family 1 member C1
  • Aldo-keto reductase family 1 member C2
  • Aldo-keto reductase family 1 member C4 (AK1C4)
  • Amiloride-sensitive cation channel 3
  • Beta amyloid A4 protein
  • Bile salt export pump
  • COX-1
  • Cyclooxygenase
  • Cyclooxygenase-1 (COX-1)
  • Cyclooxygenase-2 (COX-2)
  • Fatty-acid amide hydrolase 1
  • Intestinal fatty acid-binding protein (hIFABP)
  • Liver fatty acid binding protein (rat L-FABP)
  • Prostaglandin E synthase/G/H synthase 2
  • Prostaglandin G/H synthase (cyclooxygenase)
  • Serum albumin
  • Solute carrier family 22 member 6
  • (+-)-2-fluoro-alpha-methyl-4-biphenylacetic acid
  • 2-(2-fluoro-[1,1'-biphenyl-4-yl])propanoic acid
  • 2-(2-fluorobiphenyl-4-yl)propanoic acid
  • 2-fluoro-alpha-methyl-(1,1'-biphenyl)-4-acetic acid
  • 3-fluoro-4-phenylhydratropic acid
  • Ansaid
  • CHEMBL563
  • FLURBIPROFEN
  • US9630914, Compound A
21 Ki 6 IC50 9 Kd
  • Acetylcholinesterase
  • CHRM4
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • (3S,3aR,4R,4aS,8aR,9aS)-3-Methyl-4-[2-((R)-1-methyl-6-(S)-methyl-piperidin-2-yl)-vinyl]-decahydro-naphtho[2,3-c]furan-1-one
  • (3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((1S,2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
  • (3S,3aR,4R,4aS,8aR,9aS)-4-[(E)-2-((2R,6S)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
  • (3S,3aR,4R,4aS,8aR,9aS)-4-[2-((3S,5R)-1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
  • 4-[2-(1,6-Dimethyl-piperidin-2-yl)-vinyl]-3-methyl-decahydro-naphtho[2,3-c]furan-1-one
  • 4-[2-[1,6-dimethyl-(2R,6S)-hexahydro-2-pyridinyl]-(E)-1-ethenyl]-3-methyl-(3S,3aR,4R,4aS,8aR,9aS)-perhydrobenzo[f]isobenzofuran-1-one
  • CHEMBL277642
32 Ki 4 IC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2C
  • 5-hydroxytryptamine receptor 6
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • D(2) dopamine receptor
  • HTR6
  • Histamine H1 receptor
  • Histamine H2 receptor
  • Histamine H4 receptor
  • Muscarinic acetylcholine receptor M1
  • Muscarinic acetylcholine receptor M2
  • Muscarinic acetylcholine receptor M3
  • Muscarinic acetylcholine receptor M4
  • Muscarinic acetylcholine receptor M5
  • Potassium voltage-gated channel subfamily H member 2
  • Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • (3E)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine(3Z)-3-dibenzo[b,e]oxepin-11(6H)-ylidene-N,N-dimethylpropan-1-amine
  • CHEMBL101740
  • DOXEPIN
  • cis-doxepin
24 Ki 11 IC50 1 EC50
  • 1,3-beta-glucan synthase
  • GluN1/GluN2B NMDA receptor
  • Glutamate receptor ionotropic, NMDA 2B
  • Ionotropic glutamate receptor NMDA 1/2C
  • Ionotropic glutamate receptor NMDA 1/2D
  • Potassium voltage-gated channel subfamily H member 2
  • Replicase polyprotein 1ab
  • Sigma intracellular receptor 2
  • Sigma non-opioid intracellular receptor 1
  • Sigma-1 receptor
  • (+/-)-[2-(4-benzylpiperidino)-1-(4-hydroxyphenyl)-1-propanol]
  • -(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
  • 4-(2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl)phenol
  • 4-[2-(4-Benzyl-piperidin-1-yl)-1-hydroxy-propyl]-phenol
  • CHEMBL305187
  • ChEMBL_104385
  • IFENPRODIL
2 Ki 33 IC50 1 EC50
  • C-C chemokine receptor type 1
  • C-C chemokine receptor type 2
  • C-C chemokine receptor type 3
  • C-C chemokine receptor type 4 (CCR4)
  • C-C chemokine receptor type 5
  • C-C chemokine receptor type 7
  • CCR5/mu opioid receptor complex
  • Envelope glycoprotein gp160
  • (E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)tetrahydro-2H-pyran-4-aminium chloride
  • (TAK779)Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride
  • CHEMBL41275
  • CHEMBL64322
  • Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride
  • Dimethyl-(tetrahydro-pyran-4-yl)-{4-[(3-p-tolyl-8,9-dihydro-7H-benzocycloheptene-6-carbonyl)-amino]-benzyl}-ammonium; chloride(TAK-779)
  • N-(4-(2-p-tolyl-6,7-dihydro-5H-benzo[7]annulene-8-carboxamido)benzyl)-N,N-dimethyl-tetrahydro-2H-pyran-4-aminium chloride
  • TAK-779
8 Ki 25 IC50 1 Kd 2 EC50
  • Calmodulin/Proto-oncogene tyrosine-protein kinase Src
  • Casein kinase I delta
  • Casein kinase I isoform delta
  • Cereblon/BCR/ABL
  • Ephrin type-B receptor 2
  • Epidermal growth factor receptor
  • LAP4
  • Proto-oncogene tyrosine-protein kinase Src
  • RPL19A
  • Serine/threonine-protein kinase RIPK2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase Fyn
  • Tyrosine-protein kinase HCK
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase LCK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase ZAP-70
  • 1-(tert-butyl)-3-(4-chlorophenyl)-4-aminopyrazolo[3,4-d]pyrimidine
  • 1-tert-Butyl-3-(4-chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylamine
  • 1-tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
  • 4-Amino-5-(4-chlorophenyl)-7-(t-butyl)pyrazolo[3,4-d]pyrimidine
  • 4-amino-5-(4-chlorophenyl)-7-(tert-butyl)pyrazolo[3,4-d]pyrimidine
  • AG-1879
  • CHEMBL406845
  • PP2
  • US10544104, Compound 146
  • US10688093, Compound PP2 (Pfizer)
  • US9765037, Compound 146
  • cid_4878
26 Kd 5 Koff 5 Kon
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 12
  • Carbonic anhydrase 13 (CA XIII)
  • Carbonic anhydrase 2
  • Carbonic anhydrase 7
  • Carbonic anhydrase 9
  • Carbonic anhydrases; II & IX
  • 4-(1H-benzimidazol-1-ylacetyl)benzenesulfonamide (1a)
  • CHEMBL3797385
  • carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 1
35 Ki 1 EC50
  • 5-hydroxytryptamine receptor 1A
  • 5-hydroxytryptamine receptor 1B
  • 5-hydroxytryptamine receptor 2A
  • 5-hydroxytryptamine receptor 2B
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adenosine A2 receptor
  • Adenosine receptor A1
  • Adenosine receptor A2a
  • Adenosine receptor A3
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2C adrenergic receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • D(3) dopamine receptor
  • D(4) dopamine receptor
  • Delta-type opioid receptor
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H3 receptor
  • Histamine H4 receptor
  • Kappa-type opioid receptor
  • Low affinity neurotrophin receptor p75NTR
  • Muscarinic acetylcholine receptor
  • P-glycoprotein 1
  • Potassium voltage-gated channel subfamily H member 2
  • Serotonin (5-HT) receptor
  • Sigma non-opioid intracellular receptor 1
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • Translocator protein
  • 2-(4-(4-(3-methoxyphenyl)piperazin-1-yl)butyl)-4-methyl-1,2,4-triazine-3,5(2H,4H)-dione
  • CHEMBL426317
36 Ki
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XIII
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Gamma-carbonic anhydrase
  • CHEMBL471869
  • sodium tellurate(VI)
36 Ki
  • α-Carbonic anhydrase (αCA)
  • β-Carbonic anhydrase (βCA)
  • Alpha-carbonic anhydrase
  • Astrosclerin-3
  • Beta-carbonic anhydrase
  • Carbonic Anhydrase XIII
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 4
  • Carbonic anhydrase 7
  • Gamma-carbonic anhydrase
  • CHEMBL502764
  • sodium persulfate
36 IC50
  • 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 3A
  • 5-hydroxytryptamine receptor 5A
  • 5-hydroxytryptamine receptor 6
  • 5-hydroxytryptamine receptor 7
  • Adrenergic alpha1B
  • Alpha-1A adrenergic receptor
  • Alpha-2A adrenergic receptor
  • Alpha-2B adrenergic receptor
  • Alpha-2C adrenergic receptor
  • Beta-1 adrenergic receptor
  • Beta-2 adrenergic receptor
  • Beta-3 adrenergic receptor
  • D(1A) dopamine receptor
  • D(1B) dopamine receptor
  • D(2) dopamine receptor
  • Delta-type opioid receptor
  • Histamine H1 receptor
  • Histamine H2 Receptor
  • Histamine H4 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 (5-HT) receptor
  • Sodium-dependent dopamine transporter
  • Sodium-dependent noradrenaline transporter
  • Sodium-dependent serotonin transporter
  • 3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
  • CHEMBL595449
36 IC50
  • ALK tyrosine kinase receptor
  • Aurora kinase A/Targeting protein for Xklp2
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • CDK2/CycE
  • CDK2/Cyclin A/Cyclin A1
  • Cell division cycle 7-related protein kinase
  • Cyclin-Dependent Kinase 1 (CDK1)
  • Cyclin-Dependent Kinase 5 (CDK5)
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Hepatocyte growth factor receptor
  • High affinity nerve growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • MAP kinase-activated protein kinase 2
  • Mast/stem cell growth factor receptor Kit
  • Mitogen-activated protein kinase 1
  • Mitogen-activated protein kinase 14
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase receptor Ret
  • RAC-alpha serine/threonine-protein kinase
  • Serine/threonine-protein kinase Chk1/2
  • Serine/threonine-protein kinase NEK6
  • Serine/threonine-protein kinase PAK 4
  • Serine/threonine-protein kinase PLK1
  • Serine/threonine-protein kinase PLK2
  • Tyrosine-protein kinase ABL1
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase receptor FLT3
  • Vascular endothelial growth factor receptor 2
  • Vascular endothelial growth factor receptor 3
  • [Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial
  • cAMP-dependent protein kinase (PKA)
  • CHEMBL604712
  • N-[5-(2,2-Dimethylpropanoyl)-6,6-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazol-3-yl]-3,5-difluorobenzamide
18 Kd
0 ΔG°
  • Phosphoehtnaolamine Methyltransferases 1 (PMT1)
  • Phosphoehtnaolamine Methyltransferases 2 (PMT2)
  • AdoCys
  • CHEMBL597532
  • S-Adenosylhomocysteine
36 IC50
  • Cytochrome P450 3A
  • Mitogen-activated protein kinase kinase kinase 9 (MLK1)
  • Potassium voltage-gated channel subfamily H member 2
  • Protein kinase C alpha type
  • Proto-oncogene tyrosine-protein kinase Src
  • Serine/threonine-protein kinase PAK7
  • Tyrosine-protein kinase Fgr
  • Tyrosine-protein kinase JAK2
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase Yes
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor FLT3
  • BIIB-057
  • CHEMBL2177736
  • US9579320, Example 87
36 IC50
  • Angiopoietin-1 receptor
  • Apoptosis Signal-regulating Kinase 1 (ASK1)
  • Aurora kinase B
  • Axin-1/Glycogen synthase kinase-3 beta
  • Cytoplasmic tyrosine-protein kinase BMX
  • Dual specificity mitogen-activated protein kinase kinase 1
  • Dual specificity mitogen-activated protein kinase kinase 5
  • Dual specificity protein kinase TTK
  • Epidermal growth factor receptor
  • Fibroblast growth factor receptor 1
  • Fibroblast growth factor receptor 3
  • Hepatocyte growth factor receptor
  • Inhibitor of nuclear factor kappa-B kinase subunit beta
  • Insulin receptor
  • Insulin-like growth factor I 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
  • Nuclear receptor subfamily 2 group C member 2
  • Platelet-derived growth factor receptor alpha
  • Platelet-derived growth factor receptor beta
  • Protein kinase C theta type
  • Receptor protein-tyrosine kinase erbB-4
  • Receptor tyrosine-protein kinase erbB-2
  • Serine/threonine-protein kinase B-raf
  • Serine/threonine-protein kinase PLK1
  • Tyrosine-protein kinase CSK
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase Lyn
  • Tyrosine-protein kinase ZAP-70
  • Vascular endothelial growth factor receptor 1
  • Vascular endothelial growth factor receptor 2
  • CHEMBL2348417
5 Ki 31 IC50
  • Cereblon/Histone deacetylase 4
  • Cereblon/Histone deacetylase 6
  • HDAC3/NCOR2
  • Histone deacetylase 1
  • Histone deacetylase 10
  • Histone deacetylase 11
  • Histone deacetylase 2
  • Histone deacetylase 3
  • Histone deacetylase 4
  • Histone deacetylase 4 (HDAC4) (aa 627-1085)
  • Histone deacetylase 5
  • Histone deacetylase 7
  • Histone deacetylase 7 (HDAC7) (aa 518-592)
  • Histone deacetylase 8
  • Histone deacetylase 9
  • Histone deacetylase 9 (aa 604-1066)
  • CHEMBL3110004
  • US10011611, TMP269
  • US10722597, Compound TMP-269
8 Ki 24 IC50 4 EC50
  • Cannabinoid receptor
  • Cannabinoid receptor 1
  • Cannabinoid receptor 2
  • D(3) dopamine receptor
  • Delta-type opioid receptor
  • P2Y purinoceptor 14
  • Purinergic receptor P2Y1
  • Purinergic receptor P2Y11
  • Purinergic receptor P2Y14
  • Purinergic receptor P2Y2
  • Pyrimidinergic receptor P2Y4
  • Pyrimidinergic receptor P2Y6
  • CHEMBL1800685
17 IC50 19 Kd
  • 1-phosphatidylinositol 3-phosphate 5-kinase
  • Aurora kinase A/B
  • Aurora kinase A/Targeting protein for Xklp2
  • BMP-2-inducible protein kinase
  • Casein kinase I isoform epsilon
  • Citron Rho-interacting kinase
  • Dual-specificity tyrosine-phosphorylation regulated kinase 1A
  • Interleukin-1 receptor-associated kinase 3
  • Mitogen-activated protein kinase 15
  • Mitogen-activated protein kinase kinase kinase 11
  • Mitogen-activated protein kinase kinase kinase 7
  • Mitogen-activated protein kinase kinase kinase 9
  • Mitogen-activated protein kinase kinase kinase kinase 2
  • Myosin light chain kinase family member 4
  • Non-receptor tyrosine-protein kinase TYK2
  • Phosphatidylinositol 4-kinase, PI4K
  • Serine/threonine-protein kinase 17A
  • Serine/threonine-protein kinase 17B (STK17B)
  • Serine/threonine-protein kinase 35
  • Serine/threonine-protein kinase 36
  • Serine/threonine-protein kinase DCLK3
  • Serine/threonine-protein kinase GAK
  • Serine/threonine-protein kinase RIO1
  • Serine/threonine-protein kinase RIPK2
  • Serine/threonine-protein kinase SIK3
  • Serine/threonine-protein kinase pim-1
  • Serine/threonine-protein kinase pim-2
  • Serine/threonine-protein kinase pim-3
  • Tyrosine-protein kinase JAK1
  • Tyrosine-protein kinase receptor FLT3
  • CHEMBL4564337
36 IC50
  • 1,3-beta-glucan synthase component GLS2
  • Activin receptor type-1
  • Activin receptor type-1B
  • Activin receptor-like kinase 3 (ALK-3)
  • Alpha-2A adrenergic receptor
  • Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495
  • Cannabinoid receptor 1
  • Cytochrome P450
  • Cytochrome P450 1A
  • Cytochrome P450 2B6
  • Cytochrome P450 2C19
  • Cytochrome P450 2C8
  • Epithelial discoidin domain-containing receptor 1
  • Mixed lineage kinase 7
  • Serine/threonine protein kinase NLK
  • Serine/threonine-protein kinase SIK2
  • Serine/threonine-protein kinase receptor R3
  • TGF-beta receptor type-1
  • TRAF2- and NCK-interacting kinase
  • Tyrosine-protein kinase BRK
  • VHL/BCR-ABL1
  • Voltage-gated potassium channel subunit Kv7.1/Misshapen-like kinase 1
  • CHEMBL4517408
36 IC50
  • ALK tyrosine kinase receptor/Nucleophosmin
  • Bcr-Abl
  • Centrosomal protein 43/RET
  • E3 ubiquitin-protein ligase XIAP/JAK2
  • Fibroblast growth factor receptor
  • Hepatocyte growth factor receptor
  • High affinity nerve growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET
  • MER intracellular domain/EGFR extracellular domain chimera
  • Macrophage colony stimulating factor receptor
  • Macrophage-stimulating protein receptor
  • NTRK1/NTRK2
  • Neurotrophic tyrosine kinase receptor
  • Protein cereblon/Platelet-derived growth factor receptor alpha
  • Protein cereblon/Stem cell growth factor receptor
  • Protein cereblon/Tyrosine-protein kinase SRC
  • Protein cereblon/Tyrosine-protein kinase receptor FLT3
  • Proto-oncogene tyrosine-protein kinase ROS
  • SRC
  • TEC family kinase
  • TEL/KDR
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor Tie-1
  • VEGF-receptor 2 and Fibroblast growth factor receptor 1
  • VEGF-receptor 2 and Fibroblast growth factor receptor 2
  • VHL/PDGFRB
  • Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR)
  • CHEMBL4634073
36 IC50
  • ALK tyrosine kinase receptor/Nucleophosmin
  • Bcr-Abl
  • Centrosomal protein 43/RET
  • E3 ubiquitin-protein ligase XIAP/JAK2
  • Fibroblast growth factor receptor
  • Hepatocyte growth factor receptor
  • High affinity nerve growth factor receptor
  • Insulin receptor
  • Insulin-like growth factor I receptor
  • Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET
  • MER intracellular domain/EGFR extracellular domain chimera
  • Macrophage colony stimulating factor receptor
  • Macrophage-stimulating protein receptor
  • NTRK1/NTRK2
  • Neurotrophic tyrosine kinase receptor
  • Protein cereblon/Platelet-derived growth factor receptor alpha
  • Protein cereblon/Stem cell growth factor receptor
  • Protein cereblon/Tyrosine-protein kinase SRC
  • Protein cereblon/Tyrosine-protein kinase receptor FLT3
  • Proto-oncogene tyrosine-protein kinase ROS
  • SRC
  • TEC family kinase
  • TEL/KDR
  • Tyrosine-protein kinase Lck
  • Tyrosine-protein kinase SYK
  • Tyrosine-protein kinase ZAP-70
  • Tyrosine-protein kinase receptor TYRO3
  • Tyrosine-protein kinase receptor Tie-1
  • VEGF-receptor 2 and Fibroblast growth factor receptor 1
  • VEGF-receptor 2 and Fibroblast growth factor receptor 2
  • VHL/PDGFRB
  • Vascular endothelial growth factor receptor 1 and 2 (Flt-1 and KDR)
  • CHEMBL4636995
36 Ki
  • Carbonic anhydrase
  • Carbonic anhydrase 1
  • Carbonic anhydrase 2
  • Carbonic anhydrase 7
  • Carbonic anhydrases; II & IX
  • Delta carbonic anhydrase
  • p-Hydroxy-benzene derivative, 3a
23 Ki 11 IC50 1 Kd 1 EC50
  • Butyrylcholinesterase
  • Cytochrome P450 2B6
  • Delta-type opioid receptor
  • GluN1/GluN2B NMDA receptor
  • Glutamate NMDA receptor; Grin1/Grin2c
  • Glutamate receptor ionotropic, NMDA 1
  • HTR3A
  • Muscarinic acetylcholine receptor
  • NMDA receptor subunit 2C (GluN2C)
  • NR1/NR2A
  • Prolylcarboxypeptidase (PRCP)
  • Sigma non-opioid intracellular receptor 1
  • 1-(1-phenylcyclohexyl)piperidine;hydrochloride
  • MLS002320664
  • PCP
  • PCP hydrochloride
  • PHENCYCLIDINE
  • Phencyclidine hydrochloride
  • SMR001338811
  • cid_9795678