BDBM50009672 AdoHcy::CHEMBL418052::S-(5'-adenosyl)-L-homocysteine::S-(5'-deoxyadenosin-5'-yl)-L-homocysteine::S-[1-(adenin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]-L-homocysteine::S-adenosyl-L-homocysteine::SAH::US8895245, S-Adenosyl-L-homocysteine (SAH)::US9175331, 1::US9333217, S-Adenosyl-L-homocysteine (SAH)

SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O

InChI Key InChIKey=ZJUKTBDSGOFHSH-WFMPWKQPSA-N

Data  17 KI  75 IC50  6 Kd

PDB links: 1257 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 98 hits for monomerid = 50009672   

TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  160nMAssay Description:Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactorMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  160nMAssay Description:Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counterMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase, H3 lysine-79 specific(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  270nMAssay Description:Inhibition of DOT1-like Histone H3 Methyltransferase (unknown origin)More data for this Ligand-Target Pair
TargetHistone-arginine methyltransferase CARM1(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  400nMAssay Description:Inhibition of CARM1 (unknown origin)More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 1 [11-371](Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  400nMAssay Description:Inhibition of PRMT1More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  570nMAssay Description:Inhibition of G9a (unknown origin)More data for this Ligand-Target Pair
TargetHistone-arginine methyltransferase CARM1(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  860nMAssay Description:Inhibition of CARM1More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibitory constant towards indole N-methyl-transferaseMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase SUV39H1(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  4.90E+3nMAssay Description:Inhibition of SUV39H1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPhenylethanolamine N-methyltransferase(Human)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  1.40E+4nMAssay Description:Competitive inhibition of C-terminal hexahistidine tag in human recombinant PNMT expressed in Escherichia coli assessed as inhibition constant using ...More data for this Ligand-Target Pair
TargetHistamine N-methyltransferase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  1.81E+4nMAssay Description:Inhibition constant was evaluated against Histamine N-methyl-transferaseMore data for this Ligand-Target Pair
TargetHistamine N-methyltransferase(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  1.81E+4nMAssay Description:Inhibition constant was evaluated against Histamine N-methyl-transferaseMore data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  2.90E+4nMAssay Description:Inhibition constant was evaluated against PNMTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  2.90E+4nMAssay Description:Inhibition constant was evaluated against PNMTMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetrRNA adenine N-6-methyltransferase(Streptococcus pneumoniae)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibitory activity against ErmAM methylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetrRNA adenine N-6-methyltransferase(Streptococcus pneumoniae)
Abbott Laboratories

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  4.00E+4nMAssay Description:Inhibition of ErmAM methylaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetFatty acid synthase(Human)
Pierre and Marie Curie University

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataKi:  1.50E+5nMAssay Description:Inhibition constant against Escherichia coli cyclopropane fatty acid synthaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  467nMpH: 7.6Assay Description:Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  263nMpH: 7.6Assay Description:Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  283nMpH: 7.6Assay Description:Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  380nMpH: 7.6Assay Description:Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  4.80E+3nMpH: 7.6Assay Description:Compound 75 was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive control (100% inhibit...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  467nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  263nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  283nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  380nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  4.80E+3nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  6.91E+3nMAssay Description:Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  1.66E+4nMAssay Description:Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  6.24E+3nMAssay Description:Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...More data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  5.90E+3nMAssay Description:Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  467nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  263nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  283nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  380nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  4.80E+3nMpH: 7.6Assay Description:S-Adenosyl-L-homocysteine (SAH) was serially diluted 3 fold in DMSO for 10 points and 1 μL was plated in a 384 well microtiter plate. Positive c...More data for this Ligand-Target Pair
TargetN-lysine methyltransferase SMYD2(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  180nMAssay Description:Inhibition of SMYD2 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  1.00E+4nMAssay Description:Inhibition of SUV420H2 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  3.20E+4nMAssay Description:Inhibition of SUV39H2 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase SUV39H1(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of SUV39H1 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  2.20E+3nMAssay Description:Inhibition of SETDB1 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of SETD7 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase 2A(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  2.30E+3nMAssay Description:Inhibition of MLL (unknown origin) by HMT assayMore data for this Ligand-Target Pair
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  230nMAssay Description:Inhibition of EHMT1 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EHMT2(Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of G9a (unknown origin) by HMT assayMore data for this Ligand-Target Pair
TargetHistone-lysine N-methyltransferase EZH1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  6.40E+3nMAssay Description:Inhibition of EZH1 (unknown origin) by HMT assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone-lysine N-methyltransferase EZH2(Human)
Epizyme

US Patent
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of N-terminally FLAG-tagged wild type EZH2 in EZH2/SUZ12/EED/RbAp48 complex (unknown origin) expressed in baculovirus infected in SF9 cell...More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 1 [11-371](Human)
Baylor College of Medicine

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50:  420nMAssay Description:Displacement of [3H]-SAM from recombinant His6-tagged PRMT1 (unknown origin) expressed in Escherichia coli BL21(DE3) incubated for 5 mins prior to H4...More data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 5(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human full length PRMT5 expressed in Sf9 cellsMore data for this Ligand-Target Pair
TargetProtein arginine N-methyltransferase 7(Human)
University of Toronto

Curated by ChEMBL
LigandPNGBDBM50009672(AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human full length PRMT7 expressed in Sf9 cellsMore data for this Ligand-Target Pair
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