Target Validation Information
Target ID T14342
Target Name HIV-1 reverse transcriptase
Target Type
Successful
Drug Potency against Target 10-Ethyl-10H-dibenzo[b,f][1,4]oxazepin-11-one Drug Info IC50 = 560 nM [1]
RTI-20 Drug Info IC50 = 150 nM [2]
HI-242 Drug Info IC50 = 6400 nM [3]
HI-281 Drug Info IC50 = 7000 nM [4]
HI-445 Drug Info IC50 = 3700 nM [4]
2',3'-Dideoxyadenosine Triphosphate (Ddatp) Drug Info Ki = 20 nM [5]
TRICIRIBINE Drug Info IC50 = 20 nM [6]
PT-312 Drug Info IC50 = 2400 nM [7]
R-82150 Drug Info IC50 = 70 nM [8]
1-Thiazol-2-yl-3-(2-p-tolyl-ethyl)-thiourea Drug Info IC50 = 3900 nM [9]
[(D)MeSer]3-[(40-OH) MeLeu]4-Cyclosporin A Drug Info IC50 = 95 nM [10]
[(40-OH) MeLeu]4-CsA derivatives Drug Info IC50 = 19.5 nM [10]
6-Benzyl-2-isobutylsulfanyl-3H-pyrimidin-4-one Drug Info IC50 = 9400 nM [11]
6-Benzyl-2-cyclohexylsulfanyl-3H-pyrimidin-4-one Drug Info IC50 = 3000 nM [11]
3-Benzylamino-5-ethyl-6-methyl-1H-pyridin-2-one Drug Info IC50 = 5330 nM [12]
6-Benzyl-2-sec-butylsulfanyl-3H-pyrimidin-4-one Drug Info IC50 = 1000 nM [13]
6-Benzyl-2-cyclopentylsulfanyl-3H-pyrimidin-4-one Drug Info IC50 = 1600 nM [13]
Opaviraline Drug Info IC90 = 11 nM [14]
2-Amino-6-(2-chloro-phenylsulfanyl)-benzonitrile Drug Info IC50 = 7200 nM [15]
2-Amino-6-(2-chloro-benzenesulfonyl)-benzonitrile Drug Info IC50 = 5900 nM [15]
ISODISPAR B Drug Info IC50 = 6900 nM [16]
2-Benzylsulfanyl-6-chloro-pyrimidin-4-ylamine Drug Info IC50 = 1470 nM [17]
10-Propyl-10H-dibenzo[b,f][1,4]oxazepin-11-one Drug Info IC50 = 375 nM [1]
UK-129485 Drug Info IC50 = 156 nM
PT-103 Drug Info IC50 = 30 nM [7]
HI-172 Drug Info IC50 = 5800 nM [4]
1-Phenethyl-3-[1,3,4]thiadiazol-2-yl-thiourea Drug Info IC50 = 1900 nM [7]
PT-114 Drug Info IC50 = 130 nM [18]
PT-308 Drug Info IC50 = 600 nM [7]
PT-313 Drug Info IC50 = 100 nM [7]
PT-104 Drug Info IC50 = 30 nM [18]
PT-106 Drug Info IC50 = 3900 nM [7]
PT-115 Drug Info IC50 = 60 nM [18]
PT-307 Drug Info IC50 = 10 nM [7]
HI-280 Drug Info IC50 = 5600 nM [4]
1-(2-Furan-2-yl-ethyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 650 nM [7]
PT-109 Drug Info IC50 = 290 nM [18]
1-(3-Phenyl-propyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 4500 nM [7]
1-Benzyl-3-thiazol-2-yl-thiourea Drug Info IC50 = 1200 nM [7]
PT-306 Drug Info IC50 = 60 nM [7]
PT-101 Drug Info IC50 = 20 nM [7]
PT-315 Drug Info IC50 = 600 nM [7]
PT-304 Drug Info IC50 = 150 nM [7]
PT-310 Drug Info IC50 = 1100 nM [7]
1-(4-Cyano-thiazol-2-yl)-3-phenethyl-thiourea Drug Info IC50 = 200 nM [7]
1-(2-Phenyl-propyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 450 nM [7]
PT-113 Drug Info IC50 = 23 nM [18]
PT-316 Drug Info IC50 = 350 nM [7]
HI-236 Drug Info IC50 = 100 nM [3]
1-Thiazol-2-yl-3-(2-o-tolyl-ethyl)-thiourea Drug Info IC50 = 80 nM [7]
PT-320 Drug Info IC50 = 350 nM [7]
PT-102 Drug Info IC50 = 1300 nM [3]
1-(2-Pyridin-2-yl-ethyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 200 nM [7]
PT-108 Drug Info IC50 = 3 nM [7]
1-Benzothiazol-2-yl-3-phenethyl-thiourea Drug Info IC50 = 200 nM [7]
HI-443 Drug Info IC90 = 15000 nM [19]
[(40-OH)MeLeu]4-Cyclosporin A Drug Info IC50 = 137.5 nM [10]
1-(4-Butyl-thiazol-2-yl)-3-phenethyl-thiourea Drug Info IC50 = 2500 nM [7]
2-Amino-6-(2-bromo-benzenesulfonyl)-benzonitrile Drug Info IC50 = 12000 nM [15]
2-Amino-6-(2-cyano-phenylsulfanyl)-benzonitrile Drug Info IC50 = 9100 nM [15]
2-Amino-6-benzenesulfonyl-benzonitrile Drug Info IC50 = 6900 nM [15]
2-Amino-6-(3-bromo-benzenesulfinyl)-benzonitrile Drug Info IC50 = 4800 nM [15]
2-Amino-6-(toluene-3-sulfinyl)-benzonitrile Drug Info IC50 = 10000 nM [15]
PT-311 Drug Info IC50 = 40 nM [7]
DEOXYTHYMIDINE_TRIPHOSPHATE Drug Info Ki = 61 nM [5]
1-(1-Phenyl-propyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 1500 nM [9]
PT-314 Drug Info IC50 = 550 nM [7]
2-Amino-6-(3-cyano-phenylsulfanyl)-benzonitrile Drug Info IC50 = 1100 nM [15]
2-Amino-6-(naphthalene-2-sulfonyl)-benzonitrile Drug Info IC50 = 30 nM [15]
2-Amino-6-(3-methoxy-phenylsulfanyl)-benzonitrile Drug Info IC50 = 1500 nM [15]
PT-317 Drug Info IC50 = 200 nM [7]
1-(2-Phenoxy-ethyl)-3-thiazol-2-yl-thiourea Drug Info IC50 = 4400 nM [9]
R-82913 Drug Info IC50 = 200 nM [7]
2-Amino-6-(3-chloro-phenylsulfanyl)-benzonitrile Drug Info IC50 = 16000 nM [15]
10-Isopropyl-10H-dibenzo[b,f][1,4]oxazepin-11-one Drug Info IC50 = 340 nM [1]
LY-73497 Drug Info IC50 = 900 nM [7]
PT-322 Drug Info IC50 = 1500 nM [7]
PT-319 Drug Info IC50 = 150 nM [7]
PT-309 Drug Info IC50 = 6 nM [7]
HI-244 Drug Info IC50 = 70 nM [9]
10-Allyl-10H-dibenzo[b,f][1,4]oxazepin-11-one Drug Info IC50 = 465 nM [1]
2-Amino-6-(4-chloro-phenylsulfanyl)-benzonitrile Drug Info IC50 = 12000 nM [15]
1-nitro-2-(2-nitrophenylsulfonyl)benzene Drug Info IC50 = 14000 nM [15]
1-Benzenesulfonyl-2-nitro-benzene Drug Info IC50 = 16000 nM [15]
2-Amino-6-(3-bromo-benzenesulfonyl)-benzonitrile Drug Info IC50 = 200 nM [15]
2-Amino-6-(3-cyano-benzenesulfonyl)-benzonitrile Drug Info IC50 = 1800 nM [15]
2-Amino-6-(naphthalene-1-sulfonyl)-benzonitrile Drug Info IC50 = 1000 nM [15]
2-Amino-6-(3-fluoro-phenylsulfanyl)-benzonitrile Drug Info IC50 = 12000 nM [15]
2-Amino-6-(toluene-2-sulfonyl)-benzonitrile Drug Info IC50 = 4500 nM [15]
2-Amino-6-m-tolylsulfanyl-benzonitrile Drug Info IC50 = 960 nM [15]
2-Amino-6-(3-bromo-phenylsulfanyl)-benzonitrile Drug Info IC50 = 15000 nM [15]
2-Amino-6-phenylsulfanyl-benzonitrile Drug Info IC50 = 8700 nM [15]
2-Amino-6-(2-fluoro-benzenesulfonyl)-benzonitrile Drug Info IC50 = 5000 nM [15]
2-Amino-6-(2-methoxy-phenylsulfanyl)-benzonitrile Drug Info IC50 = 2700 nM [15]
2-Amino-6-p-tolylsulfanyl-benzonitrile Drug Info IC50 = 5700 nM [15]
2-Amino-6-(3-chloro-benzenesulfonyl)-benzonitrile Drug Info IC50 = 400 nM [15]
2-Amino-6-(2-cyano-benzenesulfonyl)-benzonitrile Drug Info IC50 = 6000 nM [15]
2-Amino-6-(2-cyano-benzenesulfinyl)-benzonitrile Drug Info IC50 = 9900 nM [15]
2-Amino-6-(toluene-4-sulfonyl)-benzonitrile Drug Info IC50 = 7300 nM [15]
HI-240 Drug Info IC50 = 600 nM [19]
EMIVIRINE Drug Info IC50 = 800 nM [19]
2'-3'-dideoxy-7-deaza-guaninetriphosphate Drug Info Ki = 25 nM [5]
PT-110 Drug Info IC50 = 90 nM [18]
PT-112 Drug Info IC50 = 50 nM [18]
EPIGALOCATECHIN GALLATE Drug Info IC50 = 730 nM [20]
HI-241 Drug Info IC50 = 700 nM [3]
Nevirapine Drug Info IC50 = 84 nM [21]
HEPT Drug Info IC50 = 5060 nM [22]
R-87027 Drug Info IC50 = 4300 nM [23]
1-Adamantan-1-ylmethyl-3-thiazol-2-yl-thiourea Drug Info IC50 = 1300 nM [9]
1-Furan-2-ylmethyl-3-thiazol-2-yl-thiourea Drug Info IC50 = 600 nM [9]
PT-302 Drug Info IC50 = 1000 nM [7]
TIBO Drug Info IC50 = 43 nM [24]
2-Amino-6-(toluene-3-sulfonyl)-benzonitrile Drug Info IC50 = 200 nM [15]
NSC-380292 Drug Info IC50 = 1200 nM [25]
10-Propyl-10H-dibenzo[b,f][1,4]thiazepin-11-one Drug Info IC50 = 400 nM [1]
Emtricitabine Drug Info EC50 = 10 nM [26]
References
REF 1J Med Chem. 1992 May 15;35(10):1887-97.Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 2. Tricyclic pyridobenzoxazepinones and dibenzoxazepinones.
REF 2J Med Chem. 1991 Jul;34(7):2231-41.Novel non-nucleoside inhibitors of HIV-1 reverse transcriptase. 1. Tricyclic pyridobenzo- and dipyridodiazepinones.
REF 3Bioorg Med Chem Lett. 2000 Jan 3;10(1):87-90.Antioxidant function of phenethyl-5-bromo-pyridyl thiourea compounds with potent anti-HIV activity.
REF 4Bioorg Med Chem Lett. 1999 Jun 7;9(11):1593-8.Rational design of N-[2-(2,5-dimethoxyphenylethyl)]-N'-[2-(5-bromopyridyl)]-thiourea (HI-236) as a potent non-nucleoside inhibitor of drug-resistant human immunodeficiency virus.
REF 5J Med Chem. 2005 Apr 7;48(7):2695-700.Synthesis of 2',3'-dideoxynucleoside 5'-alpha-P-borano-beta,gamma-(difluoromethylene)triphosphates and their inhibition of HIV-1 reverse transcriptase.
REF 6J Med Chem. 2005 Jun 2;48(11):3840-51.Design, synthesis and antiviral activity of novel 4,5-disubstituted 7-(beta-D-ribofuranosyl)pyrrolo[2,3-d][1,2,3]triazines and the novel 3-amino-5-methyl-1-(beta-D-ribofuranosyl)- and 3-amino-5-methyl-1-(2-deoxy-beta-D-ribofuranosyl)-1,5-dihydro-1,4,5,6,7,8-hexaazaacenaphthylene as analogues of triciribine.
REF 7J Med Chem. 1995 Dec 8;38(25):4929-36.Phenethylthiazolethiourea (PETT) compounds, a new class of HIV-1 reverse transcriptase inhibitors. 1. Synthesis and basic structure-activity relationship studiesof PETT analogs.
REF 8J Med Chem. 1993 Jan 22;36(2):249-55.Synthesis and evaluation of 2-pyridinone derivatives as specific HIV-1 reverse transcriptase inhibitors. 3. Pyridyl and phenyl analogs of 3-aminopyridin-2(1H)-one.
REF 9Bioorg Med Chem Lett. 2001 Feb 26;11(4):523-8.Anti-HIV activity of aromatic and heterocyclic thiazolyl thiourea compounds.
REF 10Bioorg Med Chem Lett. 2003 Dec 15;13(24):4415-9.Synthesis of non-immunosuppressive cyclophilin-Binding cyclosporin A derivatives as potential anti-HIV-1 drugs.
REF 11J Med Chem. 1995 Aug 18;38(17):3258-63.Synthesis and anti-HIV-1 activity of thio analogues of dihydroalkoxybenzyloxopyrimidines.
REF 12J Med Chem. 1992 Oct 16;35(21):3792-802.Synthesis and evaluation of 2-pyridinone derivatives as HIV-1-specific reverse transcriptase inhibitors. 2. Analogues of 3-aminopyridin-2(1H)-one.
REF 13J Med Chem. 1999 Feb 25;42(4):619-27.5-Alkyl-2-(alkylthio)-6-(2,6-dihalophenylmethyl)-3, 4-dihydropyrimidin-4(3H)-ones: novel potent and selective dihydro-alkoxy-benzyl-oxopyrimidine derivatives.
REF 14Bioorg Med Chem Lett. 2000 Aug 7;10(15):1729-31.Synthesis and evaluation of quinoxalinones as HIV-1 reverse transcriptase inhibitors.
REF 15J Med Chem. 2001 Jun 7;44(12):1866-82.2-Amino-6-arylsulfonylbenzonitriles as non-nucleoside reverse transcriptase inhibitors of HIV-1.
REF 16Bioorg Med Chem Lett. 2005 Oct 15;15(20):4447-50.4-Phenylcoumarins as HIV transcription inhibitors.
REF 17J Med Chem. 1998 Sep 24;41(20):3793-803.Pyrimidine thioethers: a novel class of HIV-1 reverse transcriptase inhibitors with activity against BHAP-resistant HIV.
REF 18J Med Chem. 1996 Oct 11;39(21):4261-74.Phenethylthiazolylthiourea (PETT) compounds as a new class of HIV-1 reverse transcriptase inhibitors. 2. Synthesis and further structure-activity relationship studies of PETT analogs.
REF 19Bioorg Med Chem Lett. 1999 Dec 20;9(24):3411-6.N'-[2-(2-thiophene)ethyl]-N'-[2-(5-bromopyridyl)] thiourea as a potent inhibitor of NNI-resistant and multidrug-resistant human immunodeficiency virus-1.
REF 20Bioorg Med Chem Lett. 2001 Oct 22;11(20):2763-7.Simplified catechin-gallate inhibitors of HIV-1 reverse transcriptase.
REF 21Privileged structures: a useful concept for the rational design of new lead drug candidates. Mini Rev Med Chem. 2007 Nov;7(11):1108-19.
REF 22Bioorg Med Chem Lett. 2004 Jun 21;14(12):3173-6.5-Alkyl-2-[(aryl and alkyloxylcarbonylmethyl)thio]-6-(1-naphthylmethyl) pyrimidin-4(3H)-ones as an unique HIV reverse transcriptase inhibitors of S-DABO series.
REF 23J Med Chem. 1998 Dec 17;41(26):5272-86.Prediction of binding affinities for TIBO inhibitors of HIV-1 reverse transcriptase using Monte Carlo simulations in a linear response method.
REF 24J Med Chem. 1996 May 24;39(11):2129-40.Comparative molecular moment analysis (CoMMA): 3D-QSAR without molecular superposition.
REF 25Bioorg Med Chem Lett. 2006 Jun 1;16(11):3034-8. Epub 2006 Mar 9.New HIV-1 reverse transcriptase inhibitors based on a tricyclic benzothiophene scaffold: synthesis, resolution, and inhibitory activity.
REF 26GABA(A) receptor ligands and their therapeutic potentials. Curr Top Med Chem. 2002 Aug;2(8):817-32.

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