Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T24587 | Target Info | |||
| Target Name | O-6-methylguanine-DNA-alkyltransferase (MGMT) | ||||
| Synonyms |
Methylated-DNA--protein-cysteine methyltransferase; Human O(6)-alkylguanine-DNA alkyltransferase; 6-O-methylguanine-DNA methyltransferase
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| Target Type | Clinical trial Target | ||||
| Gene Name | MGMT | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 5 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
O6-Substituted Guanine Deriv. 19
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL334050; BDBM5479; ZINC13475139; 6-(2-Phenylallyloxy)-9H-purine-2-amine; 6-[(2-phenylprop-2-en-1-yl)oxy]-9H-purin-2-amine
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| Activity |
IC50 = 77000 nM
|
[1] | |||
| Compound Name |
2-Butanone, 1-[(2-amino-9H-purin-6-yl)oxy]-
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL337713; BDBM50093325; 6-(2-Oxobutoxy)-9H-purine-2-amine; 1-(2-Amino-9H-purin-6-yloxy)-butan-2-one
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| Activity |
IC50 = 93200 nM
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[1] | |||
| Compound Name |
1-[(2-Amino-7H-purin-6-yl)oxy]propan-2-one
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL272689; O6-Substituted Guanine Deriv. 21; BDBM5481; 6-(Acetonyloxy)-9H-purine-2-amine; 1-[(2-amino-9H-purin-6-yl)oxy]propan-2-one; 2-Propanone, 1-[(2-amino-9H-purin-6-yl)oxy]-
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| Activity |
IC50 = 95000 nM
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[1] | |||
| Compound Name |
6-Heptoxy-7H-purin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL270945; O6-Substituted Guanine Deriv. 6; 9H-Purin-2-amine, 6-(heptyloxy)-; BDBM5464; 6-(heptyloxy)-9H-purin-2-amine
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| Activity |
IC50 ~ 100000 nM
|
[1] | |||
| Compound Name |
2,6-Diamino-4-benzyloxypyrimidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL121445; 2,6-Diamino-4-(benzyloxy)pyrimidine; 6-phenylmethoxypyrimidine-2,4-diamine; 2,4-Pyrimidinediamine, 6-(phenylmethoxy)-; SCHEMBL6266136; 2,4-diamino-6-benzyloxypyrimidine; 6-Benzyloxypyrimidine-2,4-diamine; 2,4-diamino-6-benzyloxy-pyrimidine; 6-Benzyloxy-pyrimidine-2,4-diamine; BDBM50062821; 2, 4-diamino-6-benzyloxy-pyrimidine; 6-(Benzyloxy)pyrimidine-2,4-diamine; AKOS019427868
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| Activity |
IC50 = 170000 nM
|
[2] | |||
| Non Binders of This Target (in total, 22 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
6-(Cyclohex-3-enylmethoxy)-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL115498; O6-Substituted Guanine Deriv. 27; AC1NS6ZQ; 9H-Purin-2-amine, 6-(3-cyclohexen-1-ylmethoxy)-; SCHEMBL6267556; BDBM5487; 220035-95-0; 6-(cyclohex-3-en-1-ylmethoxy)-9H-purin-2-amine
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
6-O-Cyclohexylmethyl Guanine
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Investigative | Compound Info | ||
| Synonyms |
6-(Cyclohexylmethoxy)-9H-purin-2-amine; nu2058; 161058-83-9; 6-(cyclohexylmethoxy)-9H-purin-2-amine; 6-O-CYCLOHEXYLMETHYL GUANINE; 2-amino-6-[(cyclohexylmethyl)oxy]purine; NU 2058; 2-amino-6-cyclohexylmethoxypurine; NU-2058; O6-Cyclohexylmethylguanine; CHEMBL269881; 1e1v; 1h1p; O-Cyclohexylmethylguanine; AC1Q4XUD; 9H-Purin-2-amine, 6-(cyclohexylmethoxy)-; O6-Cyclohexylmethyl guanine; AC1L1IG4; MLS001074898; SCHEMBL3462331; BDBM5485; CTK8D6642; CTK0E6580; EX-A790; AOB6207; MolPort-033-437-778; MolPort-003-958-993; MolPort-044-561-861; HMS3372K06; HMS3262L18; HMS2233F06
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
2-Amino-6-methoxypurine
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Investigative | Compound Info | ||
| Synonyms |
6-Methoxyguanine; O6-Methylguanine; 6-methoxy-9H-purin-2-amine; 6-O-Methylguanine; 6-Methoxy-7H-purin-2-amine; O-(6)-Methylguanine; 1H-Purin-2-amine, 6-methoxy-; Purine, 2-amino-6-methoxy-; 6-Methoxy-1H-purine-2-amine; O(sup 6)-Methylguanine; UNII-9B710FV2AE; 6-METHOXY-1H-PURIN-2-AMINE; MFCD00133009; 9B710FV2AE; CHEMBL226395; NSC37364; 9H-PURIN-2-AMINE, 6-METHOXY-; 6-methoxypurine-2-ylamine; O(6)-methylguanine; NSC 37364; O-Methylguanine; PubChem9244; ACMC-209fbs; O6-MeG; 2-amino-6-methoxy purine; NCIMech_000186; 6-O-Methylguanine, 97%; DSSTox_CID_29365; DSSTox_RID_83480; DSSTox_GSID_49405; MLS001074870; SCHEMBL231097; BDBM5470; DTXSID9049405; CTK7B2040; CTK8B1153; 6-Methoxy-7H-purin-2-amine #; O6-Substituted Guanine Deriv. 1; HMS2231D13; HMS3370E06; BCP30956; ZINC4770610; Tox21_202966; ANW-24134; BBL101282; CCG-35441; NSC-37364; SBB052058; STL555078; AKOS005257755; AKOS015914255; Purine, 2-amino-6-methoxy- (8CI); CS-W014307; LS20599; MB00722; MCULE-4539018382; KS-000011U3; NCGC00247006-01; NCGC00260512-01; NCI60_003482; SC-46314; SMR000568400; SY036172; TS-00127; 2-Amino-6-methoxypurine;6-O-Methylguanine; DB-045270; A1151; FT-0638008; FT-0671802; ST50298900; 6-O-Methylguanine (2-Amino-6-Methoxypurine); 535A835; A814660; Q4641549; W-201791; BRD-K99514692-001-06-7
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| Activity |
IC50 = 248000 nM
|
[1] | |||
| Compound Name |
6-Butoxy-7H-purin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
o6-butylguanine; 6-butoxy-9H-purin-2-amine; CHEMBL270946; O(6)-Butylguanine; 9h-purin-2-amine, 6-butoxy-; O(6)-n-Butylguanine; NSC 37366; Purine, 2-amino-6-butoxy-; SCHEMBL880169; 2-Amino-6-butoxy-9H-purine; BDBM5462; 1H-Purin-2-amine, 6-butoxy-; CTK8D9693; DTXSID80997808; O6-Substituted Guanine Deriv. 4; NSC37366; MFCD20482035; NSC-37366; 6-Butoxy-3,9-dihydro-2H-purin-2-imine
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| Activity |
IC50 = 493000 nM
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[1] | |||
| Compound Name |
O6-Substituted Guanine Deriv. 36
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL446625; BDBM5496; ZINC12354779; 6-(Phenethyloxy)-9H-purine-2-amine; 6-(2-phenylethoxy)-7H-purin-2-amine; 6-(2-phenylethoxy)-9H-purin-2-amine
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| Activity |
IC50 = 548000 nM
|
[1] | |||
| Compound Name |
6-Hexyloxy-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL338451; 6-(Hexyloxy)-9H-purine-2-amine; BDBM50093343
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| Activity |
IC50 = 554000 nM
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[1] | |||
| Compound Name |
2-Amino-4-benzyloxy-6-[N-(4,4''-diaminobenzophenone)]-5-nitropyrimidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1683171; BDBM50338485
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| Activity |
IC50 > 600000 nM
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[3] | |||
| Compound Name |
2-Amino-4-benzyloxy-6-[N-(4-(4-aminophenoxy)anilino)]-5-nitropyrimidine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1683170; BDBM50338484
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| Activity |
IC50 > 600000 nM
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[3] | |||
| Compound Name |
6-Hex-3-enyloxy-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL129960; BDBM50093347
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
2-(2-Amino-9H-purin-6-yloxy)-1-phenyl-ethanone
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL338717; BDBM50093331
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
6-(Cyclopentylmethoxy)-7H-purin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL271593; 6-(cyclopentylmethoxy)-9H-purin-2-amine; O6-Substituted Guanine Deriv. 23; BDBM5483; SCHEMBL6266040; 9H-Purin-2-amine, 6-(cyclopentylmethoxy)-
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
O6-Substituted Guanine Deriv. 42
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL405197; BDBM5502; SCHEMBL7980996; 6-(2,2-dimethoxybutoxy)-9H-purin-2-amine; 9H-Purin-2-amine, 6-(2,2-dimethoxybutoxy)-
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
6-Ethylguanine
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Investigative | Compound Info | ||
| Synonyms |
6-ethoxy-7H-purin-2-amine; o6-ethylguanine; 6-ethoxy-9H-purin-2-amine; 2-amino-6-ethoxypurine; UNII-45T1754HHH; CHEMBL406419; 45T1754HHH; 6-O-Ethylguanine; O-6-Ethylguanine; O(sup 6)-Ethylguanine; NSC 37368; BRN 0648428; 1H-Purin-2-amine, 6-ethoxy-; Purine, 2-amino-6-ethoxy-; BDBM5471; PUR006; SCHEMBL4098778; SCHEMBL8618497; 9H-Purin-2-amine, 6-ethoxy-; DTXSID20199829; O6-Substituted Guanine Deriv. 2; NSC37368; MFCD20482033; NSC-37368; ZINC13475122; AS-56572
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
O6-Substituted Guanine Deriv. 11
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL269872; BDBM5469; SCHEMBL7985300; 6-(3-methylbutoxy)-9H-purin-2-amine; 9H-Purin-2-amine, 6-(3-methylbutoxy)-
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
6-Cyclobutylmethoxy-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL133293; BDBM50093340
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
Purine, 2-amino-6-propoxy-
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Investigative | Compound Info | ||
| Synonyms |
9h-purin-2-amine, 6-propoxy-; 2-Amino-6-propoxypurine; o6-propylguanine; 6-propoxy-9H-purin-2-amine; CHEMBL272692; 6-propoxy-7H-purin-2-amine; O6-Substituted Guanine Deriv. 3; BDBM5461; SCHEMBL8830293; CTK8D9694; 2-Amino-6-n-propoxy-9H-purine; DTXSID40212701; NSC37365; MFCD20482034; NSC-37365
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
O6-Substituted Guanine Deriv. 18
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL407877; BDBM5478; 6-(3-methyl-2-methylidenebutoxy)-9H-purin-2-amine; 9H-Purin-2-amine, 6-(3-methyl-2-methylenebutoxy)-
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
6-(2,2-Dimethoxy-2-phenyl-ethoxy)-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL130392; SCHEMBL8074544; BDBM50093345
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
1-[(2-Amino-6,9-dihydro-1H-purin-6-YL)oxy]-3-methyl-2-butanol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL272690; 1-[(2-amino-7H-purin-6-yl)oxy]-3-methylbutan-2-one; BDBM5482; 1-[(2-amino-9H-purin-6-yl)oxy]-3-methylbutan-2-one; O6-Substituted Guanine Deriv. 22; DB03663; Q27094580
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
O6-Substituted Guanine Deriv. 41
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL405533; BDBM5501; SCHEMBL8074743; 6-(2,2-diethoxypropoxy)-9H-purin-2-amine; 9H-Purin-2-amine, 6-(2,2-diethoxypropoxy)-
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| Activity |
IC50 > 1000000 nM
|
[1] | |||
| Compound Name |
6-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethoxy)-9H-purin-2-ylamine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL272397; SCHEMBL8075242; BDBM50241514; 6-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)-9H-purin-2-amine
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| Activity |
IC50 > 1000000 nM
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[1] | |||
| Compound Name |
6-Pentoxy-7H-purin-2-amine
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL406495; O6-Substituted Guanine Deriv. 5; BDBM5463; CTK2C6519; DTXSID50416192; 6-(pentyloxy)-9H-purin-2-amine; 1H-Purin-2-amine, 6-(pentyloxy)-; 9H-Purin-2-amine, 6-(pentyloxy)-; 6-(PENTYLOXY)-1H-PURIN-2-AMINE
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| Activity |
IC50 = 1006000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Resistance-modifying agents. 8. Inhibition of O(6)-alkylguanine-DNA alkyltransferase by O(6)-alkenyl-, O(6)-cycloalkenyl-, and O(6)-(2-oxoalkyl)gua... J Med Chem. 2000 Nov 2;43(22):4071-83. | ||||
| REF 2 | Inhibition of human O6-alkylguanine-DNA alkyltransferase and potentiation of the cytotoxicity of chloroethylnitrosourea by 4(6)-(benzyloxy)-2,6(4)-... J Med Chem. 1998 Feb 12;41(4):503-8. | ||||
| REF 3 | Towards more specific O6-methylguanine-DNA methyltransferase (MGMT) inactivators. Bioorg Med Chem. 2011 Mar 1;19(5):1658-65. | ||||
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