| Target Validation Information | |||||
|---|---|---|---|---|---|
| TTD ID | T84316 | ||||
| Target Name | Voltage-gated calcium channel alpha-2/delta-1 (CACNA2D1) | ||||
| Type of Target |
Successful |
||||
| Drug Potency against Target | Nifedipine | Drug Info | Ki = 470 nM | [7] | |
| (R)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid | Drug Info | IC50 = 1460 nM | [2] | ||
| (S)-2-amino-2-cyclohexylacetic acid | Drug Info | Ki = 60 nM | [3] | ||
| (S)-2-amino-2-o-tolylacetic acid | Drug Info | Ki = 890 nM | [3] | ||
| (S)-2-amino-2-p-tolylacetic acid | Drug Info | Ki = 4900 nM | [3] | ||
| (S)-2-amino-2-phenylpropanoic acid | Drug Info | Ki = 170 nM | [3] | ||
| (S)-2-amino-3-(benzylthio)propanoic acid | Drug Info | Ki = 110 nM | [3] | ||
| (S)-2-amino-3-cyclohexylpropanoic acid | Drug Info | Ki = 90 nM | [3] | ||
| (S)-2-amino-4-(benzylthio)butanoic acid | Drug Info | Ki = 28 nM | [3] | ||
| (S)-3-(aminomethyl)-4-(furan-2-yl)butanoic acid | Drug Info | IC50 = 178 nM | [2] | ||
| (S)-phenylglycine | Drug Info | Ki = 180 nM | [3] | ||
| 1-benzhydryl-4-(3,3-diphenylpropyl)piperazine | Drug Info | IC50 = 5000 nM | [4] | ||
| 1-benzhydryl-4-(4,4-diphenylbutyl)piperazine | Drug Info | IC50 = 6000 nM | [4] | ||
| 2-(1-(aminomethyl)-3-butylcyclopentyl)acetic acid | Drug Info | IC50 = 690 nM | [5] | ||
| 2-(1-(aminomethyl)-3-ethylcyclopentyl)acetic acid | Drug Info | IC50 = 55 nM | [5] | ||
| 2-amino-2-(2,3-difluorophenyl)acetic acid | Drug Info | Ki = 96 nM | [3] | ||
| 2-amino-2-(2,4-difluorophenyl)acetic acid | Drug Info | Ki = 3500 nM | [3] | ||
| 2-amino-2-(2-fluorophenyl)acetic acid | Drug Info | Ki = 260 nM | [3] | ||
| 2-amino-2-(3-bromophenyl)acetic acid | Drug Info | Ki = 39 nM | [3] | ||
| 2-amino-2-(3-chloro-4-fluorophenyl)acetic acid | Drug Info | Ki = 310 nM | [3] | ||
| 2-amino-2-(3-chlorophenyl)acetic acid | Drug Info | Ki = 54 nM | [3] | ||
| 2-amino-2-(thiophen-2-yl)acetic acid | Drug Info | Ki = 210 nM | [3] | ||
| 2-amino-4-(2-methyl-benzylsulfanyl)-butyric acid | Drug Info | Ki = 7.6 nM | [3] | ||
| 3-(aminomethyl)-4-(furan-2-yl)butanoic acid | Drug Info | IC50 = 421 nM | [2] | ||
| 3-(aminomethyl)-4-(furan-3-yl)butanoic acid | Drug Info | IC50 = 518 nM | [2] | ||
| 3-(aminomethyl)-4-(thiophen-2-yl)butanoic acid | Drug Info | IC50 = 2140 nM | [2] | ||
| 3-(aminomethyl)-4-(thiophen-3-yl)butanoic acid | Drug Info | IC50 = 832 nM | [2] | ||
| 3-Aminomethyl-5-methyl-hexanoic acid | Drug Info | IC50 = 83 nM | |||
| 4-(2,3-dichlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 5.3 nM | [3] | ||
| 4-(2,5-dichlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 21 nM | [3] | ||
| 4-(2-bromobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 20 nM | [3] | ||
| 4-(2-cyanobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 760 nM | [3] | ||
| 4-(2-methoxybenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 1500 nM | [3] | ||
| 4-(2-nitrobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 1300 nM | [3] | ||
| 4-(3,4-dichlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 3.7 nM | [3] | ||
| 4-(3,4-dimethylbenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 66 nM | [3] | ||
| 4-(3,5-dichlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 19 nM | [3] | ||
| 4-(3,5-dimethylbenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 450 nM | [3] | ||
| 4-(3-bromobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 31 nM | [3] | ||
| 4-(3-chlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 26 nM | [3] | ||
| 4-(3-cyanobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 840 nM | [3] | ||
| 4-(3-fluorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 19 nM | [3] | ||
| 4-(3-methoxybenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 510 nM | [3] | ||
| 4-(3-nitrobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 39 nM | [3] | ||
| 4-(4-bromobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 4.5 nM | [3] | ||
| 4-(4-chlorobenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 4.3 nM | [3] | ||
| 4-(4-tert-butylbenzylthio)-2-aminobutanoic acid | Drug Info | Ki = 79 nM | [3] | ||
| ETHIONINE | Drug Info | Ki = 100 nM | [3] | ||
| Gababutin | Drug Info | IC50 = 420 nM | [5] | ||
| N'-Acridin-9-yl-N,N-diethyl-butane-1,4-diamine | Drug Info | IC50 = 13000 nM | [1] | ||
| N,4-dibenzhydrylpiperazine-1-carboxamide | Drug Info | IC50 = 150 nM | [4] | ||
| NP-118809 | Drug Info | IC50 = 110 nM | [4] | ||
| PD-144550 | Drug Info | IC50 = 620 nM | |||
| Rac-2-amino-4-phenylbutanoic acid | Drug Info | Ki = 5400 nM | [3] | ||
| Rac-2-amino-5-cyclohexylpentanoic acid | Drug Info | Ki = 60 nM | [3] | ||
| Trans-dimethyl gababutin | Drug Info | IC50 = 22 nM | [6] | ||
| References | |||||
| REF 1 | N-Acridin-9-yl-butane-1,4-diamine derivatives: high-affinity ligands of the alpha2delta subunit of voltage gated calcium channels. Bioorg Med Chem Lett. 2004 Apr 19;14(8):1913-6. | ||||
| REF 2 | Heteroaromatic side-chain analogs of pregabalin. Bioorg Med Chem Lett. 2006 May 1;16(9):2329-32. | ||||
| REF 3 | Structure-activity relationships of alpha-amino acid ligands for the alpha2delta subunit of voltage-gated calcium channels. Bioorg Med Chem Lett. 2006 Mar 1;16(5):1138-41. | ||||
| REF 4 | Scaffold-based design and synthesis of potent N-type calcium channel blockers. Bioorg Med Chem Lett. 2009 Nov 15;19(22):6467-72. | ||||
| REF 5 | Synthesis and in vivo evaluation of 3-substituted gababutins. Bioorg Med Chem Lett. 2010 Jan 1;20(1):362-5. | ||||
| REF 6 | Synthesis and in vivo evaluation of bicyclic gababutins. Bioorg Med Chem Lett. 2010 Jan 15;20(2):461-4. | ||||
| REF 7 | Development and validation of an in silico P450 profiler based on pharmacophore models. Curr Drug Discov Technol. 2006 Mar;3(1):1-48. | ||||
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