Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50541906' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50541906
(CHEMBL4649131)Show SMILES [H][C@@]1(OC[C@@H](CO1)N(C)C)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:10.11,(18.83,-46.14,;18.07,-47.47,;17.3,-48.81,;18.07,-50.14,;19.61,-50.14,;20.38,-48.8,;19.61,-47.46,;20.38,-51.47,;19.61,-52.8,;21.92,-51.46,;17.3,-46.15,;18.06,-44.81,;15.77,-46.15,;14.73,-45,;15.06,-43.5,;13.32,-45.63,;11.99,-44.86,;12,-43.32,;10.65,-45.62,;9.33,-44.85,;7.99,-45.61,;7.99,-47.15,;9.32,-47.93,;9.32,-49.47,;6.66,-47.92,;5.33,-47.15,;3.99,-47.93,;5.33,-45.61,;6.66,-44.84,;6.66,-43.3,;13.49,-47.15,;12.46,-48.29,;12.93,-49.75,;14.44,-50.07,;15.46,-48.93,;14.99,-47.48,)| Show InChI InChI=1S/C26H34N4O4S/c1-15-11-22(35-6)20(24(31)28-15)12-27-25(32)23-16(2)30(21-10-8-7-9-19(21)23)17(3)26-33-13-18(14-34-26)29(4)5/h7-11,17-18,26H,12-14H2,1-6H3,(H,27,32)(H,28,31)/t17-,18-,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal FLAG-tagged EZH2 in PRC2 complex (unknown origin) expressed in baculovirus infected Sf9 cells using H2N-RKQLATKAAR(Kme0)SAPA... |
ACS Med Chem Lett 11: 1205-1212 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00045
BindingDB Entry DOI: 10.7270/Q2Z89GZT |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50541906
(CHEMBL4649131)Show SMILES [H][C@@]1(OC[C@@H](CO1)N(C)C)[C@@H](C)n1c(C)c(C(=O)NCc2c(SC)cc(C)[nH]c2=O)c2ccccc12 |r,wU:4.7,1.0,wD:10.11,(18.83,-46.14,;18.07,-47.47,;17.3,-48.81,;18.07,-50.14,;19.61,-50.14,;20.38,-48.8,;19.61,-47.46,;20.38,-51.47,;19.61,-52.8,;21.92,-51.46,;17.3,-46.15,;18.06,-44.81,;15.77,-46.15,;14.73,-45,;15.06,-43.5,;13.32,-45.63,;11.99,-44.86,;12,-43.32,;10.65,-45.62,;9.33,-44.85,;7.99,-45.61,;7.99,-47.15,;9.32,-47.93,;9.32,-49.47,;6.66,-47.92,;5.33,-47.15,;3.99,-47.93,;5.33,-45.61,;6.66,-44.84,;6.66,-43.3,;13.49,-47.15,;12.46,-48.29,;12.93,-49.75,;14.44,-50.07,;15.46,-48.93,;14.99,-47.48,)| Show InChI InChI=1S/C26H34N4O4S/c1-15-11-22(35-6)20(24(31)28-15)12-27-25(32)23-16(2)30(21-10-8-7-9-19(21)23)17(3)26-33-13-18(14-34-26)29(4)5/h7-11,17-18,26H,12-14H2,1-6H3,(H,27,32)(H,28,31)/t17-,18-,26-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40 | n/a | n/a | n/a | n/a |
Constellation Pharmaceuticals
Curated by ChEMBL
| Assay Description
Inhibition of EZH2 in human HeLa cells assessed as inhibition of trimethylation of H3K27 after 72 hrs by AlphaLISA assay |
ACS Med Chem Lett 11: 1205-1212 (2020)
Article DOI: 10.1021/acsmedchemlett.0c00045
BindingDB Entry DOI: 10.7270/Q2Z89GZT |
More data for this
Ligand-Target Pair | |
Search and Browse
