Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T87686 | Target Info | |||
| Target Name | Histone-lysine N-methyltransferase (HLNM) | ||||
| Synonyms |
Lysine N-methyltransferase 4; KMT4; KIAA1814; Histone-lysine N-methyltransferase, H3 lysine-79 specific; Histone H3-K79 methyltransferase; H3-K79-HMTase; DOT1-like protein
Click to Show/Hide
|
||||
| Target Type | Clinical trial Target | ||||
| Gene Name | DOT1L | ||||
| Biochemical Class | Methyltransferase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 36 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
Adenosine
Click to Show/Hide
|
Approved | Compound Info | ||
| Synonyms |
Adenosine, homopolymer; Adenine 9-beta-D-arabinofuranoside; Adenine-9-beta-D-ribofuranoside; Beta-D-Ribofuranoside, adenine-9; EA6C60C2-6AFB-4264-A2F0-541373DB950E; (2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; (2R,3R,4S,5R)-2-(6-amino-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol; 4-Aminopyrazolo[3,4-d]pyrimidine ribonucleoside; 6-Amino-9-.beta.-ribofuranosyl-9H-purine; 6-Amino-9-beta-D-ribofuranosyl-9H-purine; 6-Amino-9beta-D-ribofuranosyl-9H-purine; 9-(beta-D-Arabinofuranosyl)adenine; 9-beta-D-Ribofuranosidoadenine; 9-beta-D-Ribofuranosyl-9H-purin-6-amine; 9-beta-D-Ribofuranosyladenine; 9beta-D-Ribofuranosyladenine
Click to Show/Hide
|
||||
| Activity |
IC50 = 100000 nM
|
[1] | |||
| Compound Name |
GSK343
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
compound 6 [PMID 24900432]; GSK 343
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
1-[3-[[(1S,2R,3S,4R)-4-(6-Aminopurin-9-yl)-2,3-dihydroxycyclopentyl]methyl-propan-2-ylamino]propyl]-3-(4-tert-butylphenyl)urea
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3087501; SCHEMBL16424780; BDBM50443020
Click to Show/Hide
|
||||
| Activity |
Ki ~ 50000 nM
|
[3] | |||
| Compound Name |
Tert-butyl N-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170975; BDBM50397010
Click to Show/Hide
|
||||
| Activity |
Ki = 50000 nM
|
[4] | |||
| Compound Name |
1-{[6-(3-Fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-1,2,3-benzotriazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4084281; ZINC2433975; BDBM50501645; STK824325; AKOS001845664; CCG-144715; MCULE-5586863388; 1-{[6-(3-fluorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzotriazole
Click to Show/Hide
|
||||
| Activity |
IC50 = 55780 nM
|
[5] | |||
| Compound Name |
1-{[6-(3,4-Dimethylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl}-1H-benzimidazole
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4102657; HMS1632E17; ZINC4384020; BDBM50501646; STL099067; AKOS000648309; CCG-144665; MCULE-8232571852; AO-365/43113318; SR-01000154050; SR-01000154050-1
Click to Show/Hide
|
||||
| Activity |
IC50 = 63970 nM
|
[5] | |||
| Compound Name |
3-[3-(1H-1,2,3-Benzotriazol-1-ylmethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl methyl ether
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4092036; ZINC2360119; BDBM50501650; STK824328; AKOS000651748; CCG-144718; MCULE-5196751094; AO-365/43113304
Click to Show/Hide
|
||||
| Activity |
IC50 = 64150 nM
|
[5] | |||
| Compound Name |
Chembl4295161
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
BDBM50467089
Click to Show/Hide
|
||||
| Activity |
IC50 = 96000 nM
|
[6] | |||
| Compound Name |
CCn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3422652; SCHEMBL21856721; BDBM50082133
Click to Show/Hide
|
||||
| Activity |
IC50 = 99000 nM
|
[6] | |||
| Compound Name |
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(pyridin-4-ylmethylamino)methyl]oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170971; BDBM50397014
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
6,7-Dimethoxy-2-(pyrrolidin-1-yl)-N-(5-(pyrrolidin-1-yl)pentyl)quinazolin-4-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
UNC0379; UNC-0379; CHEMBL3318285; UNC 0379; 6,7-Dimethoxy-2-pyrrolidin-1-yl-N-(5-pyrrolidin-1-ylpentyl)quinazolin-4-amine; C23H35N5O2; CS-3345; HY-12335; SCHEMBL22568439; AOB6365; EX-A461; SYN5081; BCP10429; KS-00000T5A; 3362AH; BDBM50051117; MFCD28167817; s7570; ZINC98214604; AKOS025404942; UNC 0379;UNC-0379; CCG-268809; SB19349; NCGC00384189-06; NCGC00384189-10; AK174945; AS-16447; DA-43617; B8009; FT-0699830; A14320; UNC0379 trifluoroacetate salt, >=98% (HPLC)
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[7] | |||
| Compound Name |
5-Benzyloxy-2-amino-1-methyl-1H-indole-3-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4284586; SCHEMBL5857918; BDBM50467092; 2-amino-1-methyl-5-phenylmethoxyindole-3-carbonitrile
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(thiophen-2-ylmethylamino)methyl]oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170972; BDBM50397013
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
S-Adenosyl-3-thiopropylamine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
5'-S-(3-Aminopropyl)-5'-Thioadenosine; CHEMBL538693; S-(5')-Adenosyl-3-thiopropylamine; dcAdoHcy; dc-SAH; decarboxylated S-Adenosyl-L-homocysteine; SCHEMBL1398379; DTXSID50201247; ZINC5163039; BDBM50294572; MFCD17215932; 3-(5'-Adenosylthio)propane-1-amine; 5''-(Aminopropylthio)-5''-deoxy-adenosine; Adenosine, 5'-S-(3-aminopropyl)-5'-thio-; Q27148104; S-(5'-Adenosyl)-3-thiopropylamine, >=98.0% (HPLC); dc-SAH / dcAdoHcy / Decarboxylated S-Adenosyl-L-homocysteine
Click to Show/Hide
|
||||
| Activity |
Ki = 100000 nM
|
[3] | |||
| Compound Name |
Ethyl N-[3-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]carbamate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170978; BDBM50397007
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
5'-Deoxy-5'-(2-hydroxyethylthio)adenosine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL191917; SCHEMBL1490901; CTK1B5899; DTXSID90432038; BDBM50397019; 5'-S-(2-Hydroxyethyl)-5'-thioadenosine; Adenosine, 5'-S-(2-hydroxyethyl)-5'-thio-; (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(2-hydroxyethylsulfanylmethyl)oxolane-3,4-diol; (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-(((2-hydroxyethyl)thio)methyl)tetrahydrofuran-3,4-diol
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
5'-Deoxy-5'-(Prop-2-Yn-1-Ylamino)adenosine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2171184; A3N; SCHEMBL10005050; BDBM50397018; Q27457102
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]benzamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170981; BDBM50397004
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
5'-S-(3-Aminophenyl)-5'-thioadenosine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2171173; CTK3C7761; DTXSID70733590; BDBM50397017; adenosine, 5'-S-(3-aminophenyl)-5'-thio; Adenosine, 5'-S-(3-aminophenyl)-5'-thio-; (2S,3S,4R,5R)-2-[(3-aminophenyl)sulfanylmethyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol; (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-(((3-aminophenyl)thio)methyl)tetrahydrofuran-3,4-diol
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(pyridin-2-ylmethylamino)methyl]oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170970; BDBM50397015
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
(2R)-2-Amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxypropanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3421643; BDBM50082129
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-[(furan-2-ylmethylamino)methyl]oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170973; BDBM50397012
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
N-((4,6-Dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-isopropyl-6-(6-(4-methylpiperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
GSK926; CHEMBL2204998; SCHEMBL2590353; BDBM50400779
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
Chembl4281164
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
SCHEMBL5857180; BDBM50467094; 2-amino-5-[(3-aminophenyl)methoxy]-1-methylindole-3-carbonitrile; 5-(3-aminobenzyloxy)-2-amino-1-methyl-1H-indole-3-carbonitrile
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
Cn1c(N)c(C#N)c2cc(Oc3ccc(NC(=O)CN)cc3)ccc12
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3422653; SCHEMBL21856686; BDBM50082132
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]naphthalene-2-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170982; BDBM50397003
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
(2R,3S,4R,5R)-2-[(3-Aminopropylamino)methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2171183; SCHEMBL996891; BDBM50397021; 5'-[(3-Aminopropyl)amino]-5'-deoxyadenosine
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
(2s)-2-Amino-N-[4-[(2-Amino-3-Cyano-1h-Indol-5-Yl)oxy]phenyl]-3-Hydroxy-Propanamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3422654; SCHEMBL5857150; BDBM50082128; Q27456910; N-{4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl}-L-serinamide; (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxypropanamide
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
N-[(6-Methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-1-propan-2-ylindazole-4-carboxamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2204997; SCHEMBL12180659; BDBM50400781
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[2] | |||
| Compound Name |
N-[3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]propyl]-2-phenylacetamide
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170980; BDBM50397005
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
5'-S-Benzyl-5'-thioadenosine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL193561; SCHEMBL6901855; CTK1G4915; DTXSID90658756; 5'-(Benzylthio)-5'-deoxyadenosine; BDBM50397016; Adenosine, 5'-S-(phenylmethyl)-5'-thio-; (2R,3R,4S,5S)-2-(6-Amino-9H-purin-9-yl)-5-((benzylthio)methyl)tetrahydrofuran-3,4-diol; (2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(benzylsulfanylmethyl)oxolane-3,4-diol
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
5-Benzyloxy-2-amino-1H-indole-3-carbonitrile
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4280063; SCHEMBL5857622; BDBM50467088; 2-amino-5-phenylmethoxy-1H-indole-3-carbonitrile
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[6] | |||
| Compound Name |
3-[[(2S,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methylsulfanyl]propanoic acid
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL399890; BDBM50397020; 50-S-(propionic acid) 50-deoxy-9-(10-b-D-ribofuranosyl) adenine
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
Methyl 2-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoate
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
PRMT5-IN-C17; ZINC00659298; ChemDiv1_002844; Oprea1_645106; CHEMBL4092336; HMS595B06; ZINC5455374; STK346078; AKOS000421473; AKOS000830714; MCULE-9755352312; AG-690/12869587; SR-01000429953; SR-01000429953-1; Z16078172; methyl 2-({[(5-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate; methyl 2-({[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate; methyl 2-{2-[(6-methoxy-1H-1,3-benzodiazol-2-yl)sulfanyl]acetamido}benzoate
Click to Show/Hide
|
||||
| Activity |
IC50 ~ 100000 nM
|
[8] | |||
| Compound Name |
(2R,3S,4R,5R)-2-[[(3-Aminophenyl)methyl-prop-2-enylamino]methyl]-5-(6-aminopurin-9-yl)oxolane-3,4-diol
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL2170974; BDBM50397011
Click to Show/Hide
|
||||
| Activity |
Ki ~ 100000 nM
|
[4] | |||
| Compound Name |
(3R)-N-Methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4091413; BDBM50235304
Click to Show/Hide
|
||||
| Activity |
IC50 = 141000 nM
|
[1] | |||
| Click to Show/Hide the Information of All Poor Binders | |||||
| Non Binders of This Target (in total, 1 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3R)-1-(7H-Pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
Click to Show/Hide
|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL4074998; SCHEMBL1531444; 3-Piperidinamine,1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-,(3R)-; BDBM50235298; AKOS026816377; ZINC116450181; (R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine
Click to Show/Hide
|
||||
| Activity |
IC50 = 240000 nM
|
[1] | |||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach. ACS Med Chem Lett. 2017 Feb 14;8(3):338-343. | ||||
| REF 2 | Identification of Potent, Selective, Cell-Active Inhibitors of the Histone Lysine Methyltransferase EZH2. ACS Med Chem Lett. 2012 Oct 19;3(12):1091-6. | ||||
| REF 3 | A medicinal chemistry perspective for targeting histone H3 lysine-79 methyltransferase DOT1L. J Med Chem. 2013 Nov 27;56(22):8972-83. | ||||
| REF 4 | Synthesis and structure-activity relationship investigation of adenosine-containing inhibitors of histone methyltransferase DOT1L. J Med Chem. 2012 Sep 27;55(18):8066-74. | ||||
| REF 5 | Discovery of Novel Disruptor of Silencing Telomeric 1-Like (DOT1L) Inhibitors using a Target-Specific Scoring Function for the (S)-Adenosyl-l-methionine (SAM)-Dependent Methyltransferase Family. J Med Chem. 2017 Mar 9;60(5):2026-2036. | ||||
| REF 6 | Novel inhibitors of As(III) S-adenosylmethionine methyltransferase (AS3MT) identified by virtual screening. Bioorg Med Chem Lett. 2018 Oct 15;28(19):3231-3235. | ||||
| REF 7 | Discovery of a selective, substrate-competitive inhibitor of the lysine methyltransferase SETD8. J Med Chem. 2014 Aug 14;57(15):6822-33. | ||||
| REF 8 | Potent, Selective, and Cell Active Protein Arginine Methyltransferase 5 (PRMT5) Inhibitor Developed by Structure-Based Virtual Screening and Hit Optimization. J Med Chem. 2017 Jul 27;60(14):6289-6304. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.