BDBM50400781 CHEMBL2204997
SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(C)CC1
InChI Key: InChIKey=WCKDYPHUXUBMEB-UHFFFAOYSA-N
Data: 14 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of EZH2-mediated proliferation of human LNCaP cells after 6 days by chemiluminescence analysis | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SUV39H2 (Suv39H2) (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of SUV39H2 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SUV39H1 (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of SUV39H1 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase SETMAR (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of SETMAR using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
SET domain-containing protein 7/9 (Set7/9) (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of SET7 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein arginine N-methyltransferase 5 (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PRMT5 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 1 (DNMT1) (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.21E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of DNMT1 using polydi-dc as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein arginine methyltransferase 3 (PRMT3) (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PRMT3 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein-arginine N-methyltransferase 1 (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PRMT1 using histone H4 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protein G9a (G9a) (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of G9a using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-lysine N-methyltransferase, H3 lysine-79 specific (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of DOT1L using core histone as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA (cytosine-5)-methyltransferase 3B (Mus musculus) | BDBM50400781 (CHEMBL2204997) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of mouse DNMT3b1 using lambda DNA as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNMT3A2/3L complex (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of DNMT3a using lambda DNA as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Histone-arginine methyltransferase CARM1 (Homo sapiens (Human)) | BDBM50400781 (CHEMBL2204997) | PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 1.16E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of PRMT4 using histone H3 as substrate preincubated for 10 mins followed by addition of [3H]SAM and incubated for 60 mins | ACS Med Chem Lett 3: 1091-1096 (2012) Article DOI: 10.1021/ml3003346 BindingDB Entry DOI: 10.7270/Q2NK3G60 | |||||||||||
More data for this Ligand-Target Pair |